2,7-Naphthalenedisulfonic acid, 3-[2-(2-chloro-4-nitrophenyl)diazenyl]-4-hydroxy-5-[2-[2-hydroxy-4-[[3-hydroxy-4-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]amino]phenyl]diazenyl]-, sodium salt (1:3)

CAS Registry Number®

85631-89-6

CAS Name

2,7-Naphthalenedisulfonic acid, 3-[2-(2-chloro-4-nitrophenyl)diazenyl]-4-hydroxy-5-[2-[2-hydroxy-4-[[3-hydroxy-4-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]amino]phenyl]diazenyl]-, sodium salt (1:3)

Molecular Formula

C40H27ClN10O16S3.3Na

Cite this Page

2,7-Naphthalenedisulfonic acid, 3-[2-(2-chloro-4-nitrophenyl)diazenyl]-4-hydroxy-5-[2-[2-hydroxy-4-[[3-hydroxy-4-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]amino]phenyl]diazenyl]-, sodium salt (1:3).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85631-89-6 (retrieved 2024-11-26) (CAS RN: 85631-89-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H27ClN10O16S3.3Na/c41-28-17-25(50(55)56)7-11-29(28)45-49-39-37(70(65,66)67)14-20-13-27(68(59,60)61)19-33(38(20)40(39)54)48-47-31-10-6-24(16-35(31)53)42-23-5-9-30(34(52)15-23)46-44-22-3-1-21(2-4-22)43-32-12-8-26(51(57)58)18-36(32)69(62,63)64;;;/h1-19,42-43,52-54H,(H,59,60,61)(H,62,63,64)(H,65,66,67);;;

InChIKey

InChIKey=ZNIGYARGHUTKNT-UHFFFAOYSA-N

SMILES

N(=NC1=C(O)C=C(NC2=CC(O)=C(N=NC3=CC=C(NC4=C(S(=O)(=O)O)C=C(N(=O)=O)C=C4)C=C3)C=C2)C=C1)C=5C6=C(C=C(S(=O)(=O)O)C(N=NC7=C(Cl)C=C(N(=O)=O)C=C7)=C6O)C=C(S(=O)(=O)O)C5.[Na]

Canonical SMILES

[Na].O=N(=O)C1=CC=C(N=NC=2C(O)=C3C(N=NC4=CC=C(C=C4O)NC5=CC=C(N=NC6=CC=C(C=C6)NC7=CC=C(C=C7S(=O)(=O)O)N(=O)=O)C(O)=C5)=CC(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)C(Cl)=C1

Other Names for this Substance

  • 2,7-Naphthalenedisulfonic acid, 3-[2-(2-chloro-4-nitrophenyl)diazenyl]-4-hydroxy-5-[2-[2-hydroxy-4-[[3-hydroxy-4-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]amino]phenyl]diazenyl]-, sodium salt (1:3)
  • 2,7-Naphthalenedisulfonic acid, 3-[(2-chloro-4-nitrophenyl)azo]-4-hydroxy-5-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]-, trisodium salt

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