Chem
J-GLOBAL ID:200907050172002983   Nikkaji number:J330.304G

3-[[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-sulfonatophenyl)phenazin-5-ium

3-[[4-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-2-スルホフェニル]アミノ]-7-[エチル[(3-スルホフェニル)メチル]アミノ]-5-(4-スルホナトフェニル)フェナジン-5-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: C36H28Cl2N7[N+]O8[O-]S3
Molecular formula furigana: C36-H28-CL2-N8-O9-S3
Molecular weight: 883.750
InChI: InChI=1S/C36H28Cl2N8O9S3/c1-2-45(20-21-4-3-5-27(16-21)57(50,51)52)25-10-15-29-32(19-25)46(24-8-11-26(12-9-24)56(47,48)49)31-17-22(6-13-28(31)41-29)39-30-14-7-23(18-33(30)58(53,54)55)40-36-43-34(37)42-35(38)44-36/h3-19H,2,20H2,1H3,(H4,40,41,42,43,44,47,48,49,50,51,52,53,54,55)
InChI key: ZYRLHXUVYPJAID-UHFFFAOYSA-N
SMILES: CCN(Cc1cccc(c1)S(=O)(=O)O)c1ccc2nc3ccc(Nc4ccc(Nc5nc(Cl)nc(Cl)n5)cc4S(=O)(=O)O)cc3[n+](c3ccc(cc3)S(=O)(=O)[O-])c2c1
Systematic name  (3):
  • 3-[[4-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-2-スルホフェニル]アミノ]-7-[エチル[(3-スルホフェニル)メチル]アミノ]-5-(4-スルホナトフェニル)フェナジン-5-イウム
  • 3-({4-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-2-スルホフェニル}アミノ)-7-{エチル[(3-スルホフェニル)メチル]アミノ}-5-(4-スルホナトフェニル)-5λ5-フェナジン-5-イリウム
  • 3-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}amino)-7-{ethyl[(3-sulfophenyl)methyl]amino}-5-(4-sulfonatophenyl)-5λ5-phenazin-5-ylium
Other name (1):
  • 3-[[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-sulfonatophenyl)phenazin-5-ium
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