Cuprate(2-), [2-hydroxy-5-[2-[4′-[2-[2-(hydroxy-κO)-6-hydroxy-3-[2-[2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN1]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]benzoato(4-)]-, sodium (1:2)

CAS Registry Number®

16071-86-6

CAS Name

Cuprate(2-), [2-hydroxy-5-[2-[4′-[2-[2-(hydroxy-κO)-6-hydroxy-3-[2-[2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN1]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]benzoato(4-)]-, sodium (1:2)

Molecular Formula

C31H18CuN6O9S.2Na

Cite this Page

Cuprate(2-), [2-hydroxy-5-[2-[4′-[2-[2-(hydroxy-κO)-6-hydroxy-3-[2-[2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN1]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]benzoato(4-)]-, sodium (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16071-86-6 (retrieved 2024-11-22) (CAS RN: 16071-86-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4

InChIKey

InChIKey=HZBTZQVWJPRVDN-UHFFFAOYSA-J

SMILES

N(=NC1=CC=C(C=C1)C2=CC=C(N=NC3=CC(C([O-])=O)=C(O)C=C3)C=C2)C4=C5C([N]=6[Cu+2]([O-]5)[O-]C=7C(N6)=CC(S(=O)(=O)[O-])=CC7)=CC=C4O.[Na+]

Canonical SMILES

[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4=C(O)C=CC5=C4[O-][Cu+2]6[O-]C7=CC=C(C=C7N=[N]56)S(=O)(=O)[O-])C=C3)=CC=C1O

Other Names for this Substance

  • Cuprate(2-), [2-hydroxy-5-[2-[4′-[2-[2-(hydroxy-κO)-6-hydroxy-3-[2-[2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN1]phenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]benzoato(4-)]-, sodium (1:2)
  • Copper, [dihydrogen 5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]-4-biphenylyl]azo]salicylato(2-)]-, disodium salt
  • C.I. Direct Brown 95
  • Cuprate(2-), [5-[[4′-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium
  • Cuprate(2-), [5-[[4′-[[2-(hydroxy-κO)-6-hydroxy-3-[[2-(hydroxy-κO)-5-sulfophenyl]azo-κN1]phenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium

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Deleted or Replaced CAS Registry Numbers

10300-74-0, 39403-88-8, 58601-87-9, 76199-83-2

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