Chem
J-GLOBAL ID:200907049162946594   Nikkaji number:J59.218H

C.I.22770

C.I.ダイレクトブラウン167
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: C39H28N7Na3O11S
Molecular formula furigana: C39-H28-N7-NA3-O11-S
Molecular weight: 871.720
InChI: InChI=1S/C39H31N7O11S.3Na/c1-20-34(37(49)46(45-20)26-12-8-23-17-27(58(54,55)56)13-9-22(23)16-26)43-41-30-14-10-24(18-28(30)38(50)51)25-11-15-31(29(19-25)39(52)53)42-44-35(21(2)47)36(48)40-32-6-4-5-7-33(32)57-3;;;/h4-19,34-35H,1-3H3,(H,40,48)(H,50,51)(H,52,53)(H,54,55,56);;;/q;3*+1/p-3
InChI key: ZVMUGGSUCAVYFC-UHFFFAOYSA-K
SMILES: COc1ccccc1NC(=O)C(N=Nc1ccc(cc1C(=O)O[Na])c1ccc(N=NC2C(=NN(C2=O)c2ccc3cc(ccc3c2)S(=O)(=O)O[Na])C)c(c1)C(=O)O[Na])C(=O)C
Systematic name  (3):
  • 4-[[2-オキソ-1-[N-(2-メトキシフェニル)アミノカルボニル]プロピル]アゾ]-4′-[[5-オキソ-4,5-ジヒドロ-3-メチル-1-(6-ソジオスルホ-2-ナフタレニル)-1H-ピラゾール-4-イル]アゾ]-1,1′-ビフェニル-3,3′-ジカルボン酸二ナトリウム
  • 3,3'-二ナトリウム 4-(2-{1-[(2-メトキシフェニル)カルバモイル]-2-オキソプロピル}ジアゼン-1-イル)-4'-[2-(3-メチル-5-オキソ-1-{6-[(ソジオオキシ)スルホニル]ナフタレン-2-イル}-4,5-ジヒドロ-1H-ピラゾール-4-イル)ジアゼン-1-イル]-[1,1'-ビフェニル]-3,3'-ジカルボキシラート
  • 3,3'-disodium 4-(2-{1-[(2-methoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-4'-[2-(3-methyl-5-oxo-1-{6-[(sodiooxy)sulfonyl]naphthalen-2-yl}-4,5-dihydro-1H-pyrazol-4-yl)diazen-1-yl]-[1,1'-biphenyl]-3,3'-dicarboxylate
Other name (4):
  • C.I.ダイレクトブラウン167
  • C.I.22770
  • C.I.Direct Brown 167
  • 4-[[2-Oxo-1-[N-(2-methoxyphenyl)aminocarbonyl]propyl]azo]-4′-[[5-oxo-4,5-dihydro-3-methyl-1-(6-sodiosulfo-2-naphthalenyl)-1H-pyrazol-4-yl]azo]-1,1′-biphenyl-3,3′-dicarboxylic acid disodium salt
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