Direct Black 168

CAS Registry Number®

85631-88-5

CAS Name

Direct Black 168

Molecular Formula

C34H27N9O11S3.3Na

Cite this Page

Direct Black 168.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85631-88-5 (retrieved 2024-12-23) (CAS RN: 85631-88-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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

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Deleted or Replaced CAS Registry Numbers

83046-38-2, 877066-61-0

CAS INSIGHTSTM
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