Chem
J-GLOBAL ID：200907068496907314   Nikkaji number：J1.077.880H

WST-1

WST-1
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： C19H11IN3[N+]2Na2O7[O-]S2
Molecular formula furigana： C19-H11-I-N5-NA2-O8-S2
Molecular weight： 674.330
InChI： InChI=1S/C19H12IN5O8S2.2Na/c20-12-1-3-13(4-2-12)23-21-19(22-24(23)14-5-7-15(8-6-14)25(26)27)17-10-9-16(34(28,29)30)11-18(17)35(31,32)33;;/h1-11H,(H-,28,29,30,31,32,33);;/q;2*+1/p-1
InChI key： DKTYIZGLTHWYCM-UHFFFAOYSA-M
SMILES： [O-][N+](=O)c1ccc(cc1)n1nc(n[n+]1c1ccc(I)cc1)c1ccc(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na]
Systematic name  (3)：
  • 5-[2,4-ビス(ソジオオキシスルホニル)フェニル]-2-(4-ニトロフェニル)-3-(4-ヨードフェニル)-2H-テトラゾール-3-イウム
  • 5-{2,4-ビス[(ソジオオキシ)スルホニル]フェニル}-2-(4-ヨードフェニル)-3-(4-ニトロフェニル)-3H-1,2λ5,3,4-テトラゾール-2-イリウム
  • 5-{2,4-bis[(sodiooxy)sulfonyl]phenyl}-2-(4-iodophenyl)-3-(4-nitrophenyl)-3H-1,2λ5,3,4-tetrazol-2-ylium
Other name (2)：
  • 5-[2,4-Bis(sodiooxysulfonyl)phenyl]-2-(4-nitrophenyl)-3-(4-iodophenyl)-2H-tetrazole-3-ium
  • WST-1
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