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Load script issues #145

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Oct 11, 2021
Merged

Load script issues #145

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9ba2983
working on fixing load material
ichang1 Oct 10, 2021
bee5767
load material works
ichang1 Oct 10, 2021
4257258
fixed data load
ichang1 Oct 10, 2021
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5 changes: 3 additions & 2 deletions data_model/dataload_csv/load_material.txt
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Expand Up @@ -75,7 +75,7 @@ Diethylammonium iodide model TRUE "Diethylammonium iodide|Diethylammoniumiodide|
"N,N-Diethylpropane-1,3-diammonium iodide" model TRUE "N,N-Diethylpropane-1,3-diammonium iodide|NNDiethylpropane13diammoniumiodide|InChI=1S/C7H18N2.2HI/c1-3-9(4-2)7-5-6-8;;/h3-8H2,1-2H3;2*1H|NXRUEVJQMBGVAT-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
Di-isopropylammonium iodide model TRUE "Di-isopropylammonium iodide|Diisopropylammoniumiodide|InChI=1S/C6H15N.HI/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H|PBGZCCFVBVEIAS-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
4-methoxy-phenethylammonium-iodide model TRUE "4-methoxy-phenethylammonium-iodide|4methoxyphenethylammoniumiodide|InChI=1S/C9H13NO.HI/c1-11-9-4-2-8(3-5-9)6-7-10;/h2-5H,6-7,10H2,1H3;1H|QNNYEDWTOZODAS-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
Iso-Propylammonium Bromide model TRUE "Iso-Propylammonium Bromide |IPABr|InChI=1S/C3H9N.BrH/c1-3(2)4;/h3H,4H2,1-2H3;1H|WGWKNMLSVLOQJB-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
Iso-Propylammonium Bromide model TRUE "Iso-Propylammonium Bromide|IPABr|InChI=1S/C3H9N.BrH/c1-3(2)4;/h3H,4H2,1-2H3;1H|WGWKNMLSVLOQJB-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
4-Trifluoromethyl-Phenylammonium Bromide model TRUE "4-Trifluoromethyl-Phenylammonium Bromide|4TrifluoromethylPhenylammoniumBromide|InChI=1S/C7H6F3N.BrH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H|YDUCBKSFOWFMMQ-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
Morpholinium Bromide model TRUE "Morpholinium Bromide|MorpholiniumBromide|InChI=1S/C4H9NO.BrH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H|BVJOXYJFOYNQRB-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
Cyclohexylmethylammonium Bromide model TRUE "Cyclohexylmethylammonium Bromide|CyclohexylmethylammoniumBromide|InChI=1S/C7H15N.BrH/c8-6-7-4-2-1-3-5-7;/h7H,1-6,8H2;1H|LBEXWMLYXHXELS-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
Expand Down Expand Up @@ -162,7 +162,8 @@ Trioctylphosphine model TRUE "Trioctylphosphine|Trioctylphosphine|InChI=1S/C24H5
"2,2'-bipyridyl" model TRUE "2,2'-bipyridyl|22bipyridyl|InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H|ROFVEXUMMXZLPA-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
"4,4'-di-tert-butyl-2,2'-dipyridyl" model TRUE "4,4'-di-tert-butyl-2,2'-dipyridyl|44ditertbutyl22dipyridyl|InChI=1S/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3|TXNLQUKVUJITMX-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
4-4'-dimethoxy-2-2'-bipyridine model TRUE "4-4'-dimethoxy-2-2'-bipyridine|44dimethoxy22bipyridine|InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3|IMEVSAIFJKKDAP-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
"2,2-Bipyridine-3,3dicarboxylic acid" model TRUE "2,2-Bipyridine-3,3?�??��dicarboxylic acid" Chemical_Name|Abbreviation|InChI|InChIKey
"2,2-Bipyridine-3,3dicarboxylic acid" model TRUE "2,2-Bipyridine-3,3?�??��dicarboxylic acid" Chemical_Name|Abbreviation|InChI|InChIKey
"Trimethyl2,2:6,2terpyridine4,4,4tricarboxylate" model TRUE "Trimethyl2,2:6,2terpyridine4,4,4tricarboxylate|Trimethyl2262terpyridine444tricarboxylate|InChI=1S/C21H17N3O6/c1-28-19(25)12-4-6-22-15(8-12)17-10-14(21(27)30-3)11-18(24-17)16-9-13(5-7-23-16)20(26)29-2/h4-11H,1-3H3|YDXTYOYBYASPDS-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
"4'-(4-Methylphenyl)-2,2':6',2''-terpyridine" model TRUE "4'-(4-Methylphenyl)-2,2':6',2''-terpyridine|44Methylphenyl2262terpyridine|InChI=1S/C22H17N3/c1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20/h2-15H,1H3|IDJYBUVHZHLIIT-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
"4,4,4-Tri-tert-Butyl-2,2:6,2-terpyridine" model TRUE "4,4,4-Tri-tert-Butyl-2,2:6,2-terpyridine|444TritertButyl2262terpyridine|InChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3|QMABMHJGSFUTPF-UHFFFAOYSA-N" Chemical_Name|Abbreviation|InChI|InChIKey organic
Imidazolium bromide model true ImidazoliumBromide|VWUCIBOKNZGWLX-UHFFFAOYSA-N|Imidazolium bromide|InChI=1S/C3H4N2.BrH/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H|c1c[nH+]c[nH]1.[Br-] Abbreviation|InChIKey|Chemical_Name|InChI|SMILES catalog|reference
220 changes: 220 additions & 0 deletions data_model/dataload_csv/load_material_identifier.csv
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Original file line number Diff line number Diff line change
Expand Up @@ -613,3 +613,223 @@ C6H16IN Molecular_Formula
C5H16I2N2 Molecular_Formula
C3H5IN2 Molecular_Formula
CH6IN3 Molecular_Formula
ACBr Abbreviation
BnNH3Br Abbreviation
C8H12BrN Abbreviation
KFXBDBPOGBBVMC-UHFFFAOYSA-N InChIKey
InChI=1S/C6H8N2.2HI/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H InChI
IPABr Abbreviation
InChI=1S/C3H9N.BrH/c1-3(2)4;/h3H,4H2,1-2H3;1H InChI
Imidazole hydrobromide Chemical_Name
IDBr Abbreviation
n-BtBr Abbreviation
N,N-Dimethylmethyleneammonium iodide Chemical_Name
NNDimethylmethyleneammoniumIodide Abbreviation
InChI=1S/C3H8N.HI/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1 InChI
VVDUZZGYBOWDSQ-UHFFFAOYSA-M InChIKey
2-Fluoroethylamine hydrochloride Chemical_Name
2Fluoroethylaminehydrochloride Abbreviation
InChI=1S/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H InChI
YRRZGBOZBIVMJT-UHFFFAOYSA-N InChIKey
Iodomethyltrimethylammonium iodide Chemical_Name
Iodomethyltrimethylammoniumiodide Abbreviation
InChI=1S/C4H11IN.HI/c1-6(2,3)4-5;/h4H2,1-3H3;1H/q+1;/p-1 InChI
IFVIWWQMNYZYFQ-UHFFFAOYSA-M InChIKey
Water Chemical_Name
H2O Abbreviation
InChI=1S/H2O/h1H2 InChI
XLYOFNOQVPJJNP-UHFFFAOYSA-N InChIKey
1-Butyl-1-methylpyrrolidinium iodide Chemical_Name
1Butyl1methylpyrrolidiniumiodide Abbreviation
InChI=1S/C9H20N.HI/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1 InChI
BEZANEDYKZXSCF-UHFFFAOYSA-M InChIKey
Diethanolammonium iodide Chemical_Name
Diethanolammoniumiodide Abbreviation
InChI=1S/C4H11NO2.HI/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H InChI
QZTGNBUTHRNAPP-UHFFFAOYSA-N InChIKey
Ethanolammonium Iodide Chemical_Name
Ethanolammoniumiodide Abbreviation
InChI=1S/C2H7NO.HI/c3-1-2-4;/h4H,1-3H2;1H InChI
WBUUOQGFAPWFMC-UHFFFAOYSA-N InChIKey
2-Thiophenemethylammonium iodide Chemical_Name
2Thiophenmethylammoniumiodide Abbreviation
InChI=1S/C5H8NS.HI/c6-4-5-2-1-3-7-5;/h1,3H,2,4,6H2;1H InChI
QTWVKKIQSUTRSU-UHFFFAOYSA-N InChIKey
4-Hydroxyphenethylammonium iodide Chemical_Name
4Hydroxyphenethylammoniumiodide Abbreviation
InChI=1S/C8H11NO.HI/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H InChI
HJFYRMFYQMIZDG-UHFFFAOYSA-N InChIKey
4-Chlorophenylammonium iodide Chemical_Name
4Chlorophenylammoniumiodide Abbreviation
InChI=1S/C6H6ClN.HI/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H InChI
NJQKYAASWUGXIT-UHFFFAOYSA-N InChIKey
4-Chlorophenethylammonium iodide Chemical_Name
4Chlorophenethylammoniumiodide Abbreviation
InChI=1S/C8H10ClN.HI/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H InChI
ZKRCWINLLKOVCL-UHFFFAOYSA-N InChIKey
Di-propylammonium iodide Chemical_Name
Dipropylammoniumiodide Abbreviation
InChI=1S/C6H15N.HI/c1-3-5-7-6-4-2;/h7H,3-6H2,1-2H3;1H InChI
OXVTTWZGFRRUCD-UHFFFAOYSA-N InChIKey
Diphenylammonium iodide Chemical_Name
Diphenylammoniumiodide Abbreviation
InChI=1S/C12H11N.HI/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10,13H;1H InChI
UEQHJXUGBQCDJY-UHFFFAOYSA-N InChIKey
2,2-dimethylpropane-1,3-diammonium iodide Chemical_Name
22dimethylpropane13diammoniumiodide Abbreviation
InChI=1S/C5H14N2.2HI/c1-5(2,3-6)4-7;;/h3-4,6-7H2,1-2H3;2*1H InChI
ODZKCFHAXXFIQC-UHFFFAOYSA-N InChIKey
2-Methoxyethylammonium iodide Chemical_Name
2methoxyethylammoniumiodide Abbreviation
InChI=1S/C3H9NO.HI/c1-5-3-2-4;/h2-4H2,1H3;1H InChI
SCDXFIYEBSXILC-UHFFFAOYSA-N InChIKey
1-Butyl-1-methylpiperadine bromide Chemical_Name
1Butyl1methylpiperadinebromide Abbreviation
InChI=1S/C10H22N.BrH/c1-3-4-8-11(2)9-6-5-7-10-11;/h3-10H2,1-2H3;1H/q+1;/p-1 InChI
WYABBCZMFVULEF-UHFFFAOYSA-M InChIKey
1-Butyl-1-methylpiperidinium iodide Chemical_Name
1Butyl1methylpiperidiniumiodide Abbreviation
InChI=1S/C10H22N.HI/c1-3-4-8-11(2)9-6-5-7-10-11;/h3-10H2,1-2H3;1H/q+1;/p-1 InChI
OOAKIOMAIRZQKN-UHFFFAOYSA-M InChIKey
2-Thiopheneethylammonium iodide Chemical_Name
2Thiopheneethylammoniumiodide Abbreviation
InChI=1S/C6H9NS.HI/c7-4-3-6-2-1-5-8-6;/h1-2,5H,3-4,7H2;1H InChI
KLYROMPVPJRYBI-UHFFFAOYSA-N InChIKey
Ethyltriphenylphosphonium iodide Chemical_Name
Ethyltriphenylphosphoniumiodide Abbreviation
InChI=1S/C20H20P.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1 InChI
SLAFUPJSGFVWPP-UHFFFAOYSA-M InChIKey
Methylphenylphosphonium iodide Chemical_Name
Methylphenylphosphoniumiodide Abbreviation
InChI=1S/C19H18P.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1; InChI
JNMIXMFEVJHFNY-UHFFFAOYSA-N InChIKey
Iodomethyltriphenylphosphonium iodide Chemical_Name
iodomethyltriphenylphosphoniumiodide Abbreviation
InChI=1S/C19H17IP.HI/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1 InChI
NAVMMSRRNOXQMJ-UHFFFAOYSA-M InChIKey
1,3-dimethylpyridinium iodide Chemical_Name
13dimethylpyridinium Abbreviation
InChI=1S/C7H10N.HI/c1-7-4-3-5-8(2)6-7;/h3-6H,1-2H3;1H/q+1; InChI
BVUPLMFUPRCOEH-UHFFFAOYSA-N InChIKey
1,4-dimethylpyridinium iodide Chemical_Name
14DMPI Abbreviation
InChI=1S/C7H10N.HI/c1-7-3-5-8(2)6-4-7;/h3-6H,1-2H3;1H/q+1;/p-1 InChI
YOBTXORLVXZWSR-UHFFFAOYSA-M InChIKey
isopropyltriphenylphosphonium iodide Chemical_Name
isopropyltriphenylphosphoniumiodide Abbreviation
InChI=1S/C21H22P.HI/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1 InChI
HHBXWXJLQYJJBW-UHFFFAOYSA-M InChIKey
1-Aminopyridinium iodide Chemical_Name
1aminopyridiniumiodide Abbreviation
InChI=1S/C5H7N2.HI/c6-7-4-2-1-3-5-7;/h1-5H,6H2;1H/q+1;/p-1 InChI
NDRLPYIMWROJBG-UHFFFAOYSA-M InChIKey
tetrabutylammonium iodide Chemical_Name
tetrabutylammoniumiodide Abbreviation
InChI=1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1 InChI
DPKBAXPHAYBPRL-UHFFFAOYSA-M InChIKey
1-butyl-4-methylpyridinium iodide Chemical_Name
1butyl4methylpyridiniumiodide Abbreviation
InChI=1S/C10H16N.HI/c1-3-4-7-11-8-5-10(2)6-9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1 InChI
RSJCFBORABJFGA-UHFFFAOYSA-M InChIKey
Phenyltriethylammonium iodide Chemical_Name
phenyltriethylammoniumiodide Abbreviation
InChI=1S/C12H20N.HI/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1 InChI
WMSWXWGJYOIACA-UHFFFAOYSA-M InChIKey
2-Chloro-1-methylpyridinium iodide Chemical_Name
2chloro1methylpyridiniumiodide Abbreviation
InChI=1S/C6H7ClN.HI/c1-8-5-3-2-4-6(8)7;/h2-5H,1H3;1H/q+1;/p-1 InChI
ABFPKTQEQNICFT-UHFFFAOYSA-M InChIKey
4-Chlorophenethylammonium bromide Chemical_Name
4chlorophenethylammoniumbromide Abbreviation
diphenylammonium bromide Chemical_Name
4-Chlorophenylammonium bromide Chemical_Name
4-hydroxyphenethylammonium bromide Chemical_Name
2-thiophenemethylammonium bromide Chemical_Name
trimethylammonium bromide Chemical_Name
iso-pentylammonium bromide Chemical_Name
Methyltriphenylphosphonium bromide Chemical_Name
2-(2-Naphthyl)ethylamine hydrochloride Chemical_Name
Naphthylethylaminehydrochloride Abbreviation
InChI=1S/C12H13N.ClH/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10;/h1-6,9H,7-8,13H2;1H InChI
VJPPXKBLHHCXLG-UHFFFAOYSA-N InChIKey
Piperidinium bromide Chemical_Name
Piperidiniumbromide Abbreviation
InChI=1S/C5H11N.BrH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H InChI
ROFVJSWBDQUQGW-UHFFFAOYSA-N InChIKey
Nonanoic Acid Chemical_Name
Nonanoicacid Abbreviation
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) InChI
FBUKVWPVBMHYJY-UHFFFAOYSA-N InChIKey
Octylamine Chemical_Name
Octylamine Abbreviation
InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 InChI
IOQPZZOEVPZRBK-UHFFFAOYSA-N InChIKey
1-Bromooctane Chemical_Name
1bromooctane Abbreviation
InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3 InChI
VMKOFRJSULQZRM-UHFFFAOYSA-N InChIKey
Trioctylphosphine Chemical_Name
Trioctylphosphine Abbreviation
InChI=1S/C24H51P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3 InChI
RMZAYIKUYWXQPB-UHFFFAOYSA-N InChIKey
1-Octanol Chemical_Name
1Octanol Abbreviation
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 InChI
KBPLFHHGFOOTCA-UHFFFAOYSA-N InChIKey
2,2'-Biquinoline Chemical_Name
22biquinoline Abbreviation
InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H InChI
WPTCSQBWLUUYDV-UHFFFAOYSA-N InChIKey
4,4'-Dimethyl-2,2'-dipyridyl Chemical_Name
44dimethyl22dipyridyl Abbreviation
InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3 InChI
NBPGPQJFYXNFKN-UHFFFAOYSA-N InChIKey
6,6'-Dimethyl-2,2'-dipyridyl Chemical_Name
66dimethyl22dipyridyl Abbreviation
InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3 InChI
OHJPGUSXUGHOGE-UHFFFAOYSA-N InChIKey
2,6-Bis(2-pyridyl)-4(1H)-pyridone Chemical_Name
26Bis2pyridyl41Hpyridone Abbreviation
InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19) InChI
HRORSVNZQWCZTD-UHFFFAOYSA-N InChIKey
6,6''-Dibromo-2,2':6',2''-terpyridine Chemical_Name
66Dibromo2262terpyridine Abbreviation
InChI=1S/C15H9Br2N3/c16-14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(17)20-13/h1-9H InChI
PYMBATDYUCQLBC-UHFFFAOYSA-N InChIKey
5,5'-Dimethyl-2,2'-dipyridyl Chemical_Name
55Dimethyl22dipyridyl Abbreviation
InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3 InChI
PTRATZCAGVBFIQ-UHFFFAOYSA-N InChIKey
2,2'-bipyridine-3,3'-diol Chemical_Name
22bipyridine33diol Abbreviation
InChI=1S/C10H8N2O2/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10/h1-6,13-14H InChI
RJNRKZBHLCOHNM-UHFFFAOYSA-N InChIKey
2,2'-bipyridine-4,4'-dicarboxaldehyde Chemical_Name
22bipyridine44dicarboxaldehyde Abbreviation
InChI=1S/C12H8N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-8H InChI
UJCACAOPZBJKIW-UHFFFAOYSA-N InChIKey
2,2'-bipyridyl Chemical_Name
22bipyridyl Abbreviation
InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H InChI
ROFVEXUMMXZLPA-UHFFFAOYSA-N InChIKey
4,4'-di-tert-butyl-2,2'-dipyridyl Chemical_Name
44ditertbutyl22dipyridyl Abbreviation
InChI=1S/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3 InChI
TXNLQUKVUJITMX-UHFFFAOYSA-N InChIKey
4-4'-dimethoxy-2-2'-bipyridine Chemical_Name
44dimethoxy22bipyridine Abbreviation
InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3 InChI
IMEVSAIFJKKDAP-UHFFFAOYSA-N InChIKey
2,2-Bipyridine-3,3?�??��dicarboxylic acid Chemical_Name
Trimethyl2,2:6,2terpyridine4,4,4tricarboxylate Chemical_Name
Trimethyl2262terpyridine444tricarboxylate Abbreviation
InChI=1S/C21H17N3O6/c1-28-19(25)12-4-6-22-15(8-12)17-10-14(21(27)30-3)11-18(24-17)16-9-13(5-7-23-16)20(26)29-2/h4-11H,1-3H3 InChI
YDXTYOYBYASPDS-UHFFFAOYSA-N InChIKey
4'-(4-Methylphenyl)-2,2':6',2''-terpyridine Chemical_Name
44Methylphenyl2262terpyridine Abbreviation
InChI=1S/C22H17N3/c1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20/h2-15H,1H3 InChI
IDJYBUVHZHLIIT-UHFFFAOYSA-N InChIKey
4,4,4-Tri-tert-Butyl-2,2:6,2-terpyridine Chemical_Name
444TritertButyl2262terpyridine Abbreviation
InChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3 InChI
QMABMHJGSFUTPF-UHFFFAOYSA-N InChIKey
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