Chem
J-GLOBAL ID:200907018796319980
Nikkaji number:J415.965I
MTS
MTS
Download MOL file
Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C20 H17 N4 [N+]O5 [O-]S2
Molecular formula furigana:
C20-H17-N5-O6-S2
Molecular weight:
487.510
InChI:
InChI=1S/C20H17N5O6S2/c1-12-13(2)32-20(21-12)25-23-19(14-4-3-5-16(10-14)31-11-18(26)27)22-24(25)15-6-8-17(9-7-15)33(28,29)30/h3-10H,11H2,1-2H3,(H-,26,27,28,29,30)
InChI key:
APRZHQXAAWPYHS-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1C)[n+]1nc(nn1c1ccc(cc1)S(=O)(=O)[O-])c1cccc(OCC(=O)O)c1
Systematic name (4):
3-(4,5-ジメチルチアゾール-2-イル)-5-(3-カルボキシメトキシフェニル)-2-(4-スルホナトフェニル)-2H-テトラゾール-3-イウム
3-(4,5-ジメチルチアゾール-2-イル)-5-[3-(カルボキシメトキシ)フェニル]-2-(4-スルホナトフェニル)-2H-テトラゾール-3-イウム
5-[3-(カルボキシメトキシ)フェニル]-2-(4,5-ジメチル-1,3-チアゾール-2-イル)-3-(4-スルホナトフェニル)-3H-1,2λ5, 3,4-テトラゾール-2-イリウム
5-[3-(carboxymethoxy)phenyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-sulfonatophenyl)-3H-1,2λ5, 3,4-tetrazol-2-ylium
Other name (3):
MTS
3-(4,5-Dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfonatophenyl)-2H-tetrazol-3-ium
3-(4,5-Dimethylthiazole-2-yl)-5-[3-(carboxymethoxy)phenyl]-2-(4-sulfonatophenyl)-2H-tetrazole-3-ium
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