1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-7-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3)

CAS Registry Number®

85631-75-0

CAS Name

1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-7-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3)

Molecular Formula

C27H20Cl2N8O9S3.3Na

Cite this Page

1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-7-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]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=85631-75-0 (retrieved 2025-01-05) (CAS RN: 85631-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H20Cl2N8O9S3.3Na/c1-13-10-22(36-37-23-12-16(48(41,42)43)4-8-24(23)49(44,45)46)14(2)9-21(13)35-34-20-7-6-19(30-27-32-25(28)31-26(29)33-27)17-5-3-15(11-18(17)20)47(38,39)40;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;

InChIKey

InChIKey=QNTNPLBDKRVQSL-UHFFFAOYSA-N

SMILES

N(=NC1=C(C)C=C(N=NC2=C(S(=O)(=O)O)C=CC(S(=O)(=O)O)=C2)C(C)=C1)C=3C4=C(C(NC=5N=C(Cl)N=C(Cl)N5)=CC3)C=CC(S(=O)(=O)O)=C4.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=C(C(N=NC2=CC(=C(N=NC3=CC=C(NC=4N=C(Cl)N=C(Cl)N4)C=5C=CC(=CC35)S(=O)(=O)O)C=C2C)C)=C1)S(=O)(=O)O

Other Names for this Substance

  • 1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-7-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3)
  • 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-7-sulfo-1-naphthalenyl]azo]-2,5-dimethylphenyl]azo]-, trisodium salt

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