Chem
J-GLOBAL ID：200907041657091306   Nikkaji number：J1.902.730I

2-(2-Methoxy-4-nitrophenyl)-3-(4-nitrophenyl)-5-(2,4-disulfophenyl)-2H-tetrazole-3-ium

2-(2-メトキシ-4-ニトロフェニル)-3-(4-ニトロフェニル)-5-(2,4-ジスルホフェニル)-2H-テトラゾール-3-イウム
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： C20H15N3[N+]3O9[O-]2S2
Molecular formula furigana： C20-H15-N6-O11-S2
Molecular weight： 579.490
InChI： InChI=1S/C20H14N6O11S2/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)/p+1
InChI key： HXTJSSXEGZMAEH-UHFFFAOYSA-O
SMILES： COc1cc(ccc1n1nc(n[n+]1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]
Systematic name  (3)：
  • 2-(2-メトキシ-4-ニトロフェニル)-3-(4-ニトロフェニル)-5-(2,4-ジスルホフェニル)-2H-テトラゾール-3-イウム
  • 5-(2,4-ジスルホフェニル)-3-(2-メトキシ-4-ニトロフェニル)-2-(4-ニトロフェニル)-3H-1,2λ5,3,4-テトラゾール-2-イリウム
  • 5-(2,4-disulfophenyl)-3-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenyl)-3H-1,2λ5,3,4-tetrazol-2-ylium
Other name (1)：
  • 2-(2-Methoxy-4-nitrophenyl)-3-(4-nitrophenyl)-5-(2,4-disulfophenyl)-2H-tetrazole-3-ium
Thsaurus map：
Thesaurus Map

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