CAS Registry Number®
85631-88-5
CAS Name
Direct Black 168
Molecular Formula
C34H27N9O11S3.3Na
Other Names and Identifiers
InChI
InChI=1S/C34H27N9O11S3.3Na/c35-24-17-23(44)11-13-25(24)41-38-21-8-6-19(7-9-21)37-26-12-10-22(16-27(26)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-20-4-2-1-3-5-20;;;/h1-17,37,44-45H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;
InChIKey
InChIKey=BJIKCCIYHXXZQT-UHFFFAOYSA-N
SMILES
NC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=CC(S(=O)(=O)O)=C(NC4=CC=C(N=NC5=C(N)C=C(O)C=C5)C=C4)C=C3)C=C(S(=O)(=O)O)C(N=NC6=CC=CC=C6)=C2O.[Na]
Canonical SMILES
[Na].O=S(=O)(O)C1=CC2=CC(=C(N=NC3=CC=C(NC4=CC=C(N=NC5=CC=C(O)C=C5N)C=C4)C(=C3)S(=O)(=O)O)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)O
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:3)
- 2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]amino]-3-sulfophenyl]azo]-5-hydroxy-6-(phenylazo)-, trisodium salt
- C.I. 335475
- C.I. Direct Black 168
- Direct Black 168
Deleted or Replaced CAS Registry Numbers
83046-38-2, 877066-61-0
