Chem
J-GLOBAL ID：201707012056370197   Nikkaji number：J3.555.769E

4-Methoxy-5-[[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)-2H-tetrazole-3-ium]-2-yl]-2-nitrobenzenesulfonate

2,3-ビス(2-メトキシ-4-ニトロ-5-スルホナトフェニル)-5-(フェニルカルバモイル)-3H-1,2λ5,3,4-テトラゾール-2-イリウム
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： C22H16N4[N+]3O9[O-]4S2
Molecular formula furigana： C22-H16-N7-O13-S2
Molecular weight： 650.530
InChI： InChI=1S/C22H17N7O13S2/c1-41-17-8-15(28(31)32)19(43(35,36)37)10-13(17)26-24-21(22(30)23-12-6-4-3-5-7-12)25-27(26)14-11-20(44(38,39)40)16(29(33)34)9-18(14)42-2/h3-11H,1-2H3,(H2-,23,30,35,36,37,38,39,40)/p-1
InChI key： CFBVWCHTNQHZLT-UHFFFAOYSA-M
SMILES： COc1cc(c(cc1n1nc(n[n+]1c1cc(c(cc1OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)Nc1ccccc1)S(=O)(=O)[O-])[N+](=O)[O-]
Systematic name  (3)：
  • 4-メトキシ-5-[[3-(2-メトキシ-4-ニトロ-5-スルホナトフェニル)-5-(フェニルカルバモイル)-2H-テトラゾール-3-イウム]-2-イル]-2-ニトロベンゼンスルホナート
  • 2,3-ビス(2-メトキシ-4-ニトロ-5-スルホナトフェニル)-5-(フェニルカルバモイル)-3H-1,2λ5,3,4-テトラゾール-2-イリウム
  • 2,3-bis(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)-3H-1,2λ5,3,4-tetrazol-2-ylium
Other name (1)：
  • 4-Methoxy-5-[[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)-2H-tetrazole-3-ium]-2-yl]-2-nitrobenzenesulfonate
Thsaurus map：
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