Chem
J-GLOBAL ID：200907076102408116   Nikkaji number：J1.327.487H

WST-8

WST-8
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： C20H13N3[N+]3Na2O9[O-]2S2
Molecular formula furigana： C20-H13-N6-NA2-O11-S2
Molecular weight： 623.450
InChI： InChI=1S/C20H14N6O11S2.2Na/c1-37-18-10-14(26(29)30)6-9-17(18)24-22-20(21-23(24)12-2-4-13(5-3-12)25(27)28)16-8-7-15(38(31,32)33)11-19(16)39(34,35)36;;/h2-11H,1H3,(H-,31,32,33,34,35,36);;/q;2*+1/p-1
InChI key： ADDTYLVLXWBJNH-UHFFFAOYSA-M
SMILES： COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na])[N+](=O)[O-]
Systematic name  (3)：
  • 5-[2,4-ビス(ソジオオキシスルホニル)フェニル]-3-(2-メトキシ-4-ニトロフェニル)-2-(4-ニトロフェニル)-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-(2-メトキシ-4-ニトロフェニル)-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-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)-3H-1,2λ5,3,4-tetrazol-2-ylium
Other name (2)：
  • 5-[2,4-Bis(sodiooxysulfonyl)phenyl]-3-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenyl)-2H-tetrazole-3-ium
  • WST-8
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