C.I. Acid Black 60

CAS Registry Number®

12218-95-0

CAS Name

C.I. Acid Black 60

Molecular Formula

C38H32CrN8O10S2.H

Cite this Page

C.I. Acid Black 60.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12218-95-0 (retrieved 2024-12-27) (CAS RN: 12218-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/2C19H18N4O5S.Cr/c2*1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2;/h2*3-10,20,25-26H,1-2H3,(H,21,24);/q;;+3/p-3

InChIKey

InChIKey=XPUNXSYBPVFQCG-UHFFFAOYSA-K

SMILES

N(C(C)=O)C=1C2=C3[N]=4[Cr+3]56([N](C=7C([O-]5)=CC=C8C7C(NC(C)=O)=CC=C8)=NC=9C([O-]6)=CC=C(S(NC)(=O)=O)C9)([O-]C3=CC=C2C=CC1)[O-]C=%10C(N4)=CC(S(NC)(=O)=O)=CC%10.[H+]

Canonical SMILES

[H+].O=C(NC1=CC=CC2=CC=C3[O-][Cr+3]456([O-]C7=CC=C(C=C7N=[N]4C3=C21)S(=O)(=O)NC)[O-]C8=CC=C(C=C8N=[N]6C=9C([O-]5)=CC=C%10C=CC=C(NC(=O)C)C%109)S(=O)(=O)NC)C

Other Names for this Substance

  • Chromate(1-), bis[N-[7-(hydroxy-κO)-8-[2-[2-(hydroxy-κO)-5-[(methylamino)sulfonyl]phenyl]diazenyl-κN1]-1-naphthalenyl]acetamidato(2-)]-, hydrogen (1:1)
  • Chromate(1-), bis[N-[7-hydroxy-8-[[2-hydroxy-5-[(methylamino)sulfonyl]phenyl]azo]-1-naphthalenyl]acetamidato(2-)]-, hydrogen
  • Chromate(1-), bis[N-[7-(hydroxy-κO)-8-[[2-(hydroxy-κO)-5-[(methylamino)sulfonyl]phenyl]azo-κN1]-1-naphthalenyl]acetamidato(2-)]-, hydrogen
  • Acetamide, N-[7-hydroxy-8-[[2-hydroxy-5-[(methylamino)sulfonyl]phenyl]azo]-1-naphthalenyl]-, chromium complex
  • C.I. Acid Black 60

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Deleted or Replaced CAS Registry Numbers

117537-53-8, 55524-08-8, 70294-86-9

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