Chem
J-GLOBAL ID：200907083814572725   Nikkaji number：J1.391.288B

3,3′-[(3,3′-Dimethyl-4,4′-biphenylylene)bisazo]bis(4-hydroxy-5-aminonaphthalene-2,7-disulfonic acid)

3,3′-[(3,3′-ジメチル-4,4′-ビフェニリレン)ビスアゾ]ビス(4-ヒドロキシ-5-アミノナフタレン-2,7-ジスルホン酸)
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： C34H28N6O14S4
Molecular formula furigana： C34-H28-N6-O14-S4
Molecular weight： 872.870
InChI： InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
InChI key： ZBNARPCCDMHDDV-UHFFFAOYSA-N
SMILES： Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)c(C)c1
Systematic name  (3)：
  • 3,3′-[(3,3′-ジメチル-4,4′-ビフェニリレン)ビスアゾ]ビス(4-ヒドロキシ-5-アミノナフタレン-2,7-ジスルホン酸)
  • 5-アミノ-3-(2-{4'-[2-(8-アミノ-1-ヒドロキシ-3,6-ジスルホナフタレン-2-イル)ジアゼン-1-イル]-3,3'-ジメチル-[1,1'-ビフェニル]-4-イル}ジアゼン-1-イル)-4-ヒドロキシナフタレン-2,7-ジスルホン酸
  • 5-amino-3-(2-{4'-[2-(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl)-4-hydroxynaphthalene-2,7-disulfonic acid
Other name (1)：
  • 3,3′-[(3,3′-Dimethyl-4,4′-biphenylylene)bisazo]bis(4-hydroxy-5-aminonaphthalene-2,7-disulfonic acid)
Thsaurus map：
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