Chem
J-GLOBAL ID：200907003184871741   Nikkaji number：J64.389K

C.I.24390

ベンゾシアニン3B
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： C34H25N6Na3O13S3
Molecular formula furigana： C34-H25-N6-NA3-O13-S3
Molecular weight： 890.750
InChI： InChI=1S/C34H28N6O13S3.3Na/c1-52-26-12-16(3-7-23(26)37-39-25-9-5-20-28(55(46,47)48)10-6-21(35)31(20)33(25)41)17-4-8-24(27(13-17)53-2)38-40-32-29(56(49,50)51)14-18-11-19(54(43,44)45)15-22(36)30(18)34(32)42;;;/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3
InChI key： RQJTUGPYIGFYBB-UHFFFAOYSA-K
SMILES： COc1cc(ccc1N=Nc1ccc2c(ccc(N)c2c1O)S(=O)(=O)O[Na])c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])c(OC)c1
Systematic name  (3)：
  • 5-アミノ-4-ヒドロキシ-3-[[4′-[(8-アミノ-1-ヒドロキシ-5-ソジオスルホ-2-ナフタレニル)アゾ]-3,3′-ジメトキシ-1,1′-ビフェニル-4-イル]アゾ]ナフタレン-2,7-ジスルホン酸二ナトリウム
  • 2,7-二ナトリウム 5-アミノ-3-{2-[4'-(2-{8-アミノ-1-ヒドロキシ-5-[(ソジオオキシ)スルホニル]ナフタレン-2-イル}ジアゼン-1-イル)-3,3'-ジメトキシ-[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-ジスルホナート
  • 2,7-disodium 5-amino-3-{2-[4'-(2-{8-amino-1-hydroxy-5-[(sodiooxy)sulfonyl]naphthalen-2-yl}diazen-1-yl)-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl]diazen-1-yl}-4-hydroxynaphthalene-2,7-disulfonate
Other name (4)：
  • ベンゾシアニン3B
  • Benzo Cyanine 3B
  • C.I.24390
  • 5-Amino-4-hydroxy-3-[[4′-[(8-amino-1-hydroxy-5-sodiosulfo-2-naphthalenyl)azo]-3,3′-dimethoxy-1,1′-biphenyl-4-yl]azo]naphthalene-2,7-disulfonic acid disodium salt
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