Cuprate(3-), [4-(hydroxy-κO)-5-[2-[1-(hydroxy-κO)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]diazenyl-κN1]-1,3-benzenedisulfonato(5-)]-, sodium (1:3)

CAS Registry Number®

70247-72-2

CAS Name

Cuprate(3-), [4-(hydroxy-κO)-5-[2-[1-(hydroxy-κO)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]diazenyl-κN1]-1,3-benzenedisulfonato(5-)]-, sodium (1:3)

Molecular Formula

C26H12Cl3CuN6O11S3.3Na

Cite this Page

Cuprate(3-), [4-(hydroxy-κO)-5-[2-[1-(hydroxy-κO)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]diazenyl-κN1]-1,3-benzenedisulfonato(5-)]-, sodium (1:3).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70247-72-2 (retrieved 2024-12-23) (CAS RN: 70247-72-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H17Cl3N6O11S3.Cu.3Na/c27-20-24(28)32-26(29)33-25(20)31-13-3-1-12(2-4-13)30-14-5-6-16-11(7-14)8-18(48(41,42)43)21(22(16)36)35-34-17-9-15(47(38,39)40)10-19(23(17)37)49(44,45)46;;;;/h1-10,30,36-37H,(H,31,32,33)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;+2;3*+1/p-5

InChIKey

InChIKey=ZPCVESWWISKPDY-UHFFFAOYSA-I

SMILES

S(=O)(=O)([O-])C1=C2C([N]=3[Cu+2]([O-]C=4C(N3)=C(S(=O)(=O)[O-])C=C5C4C=CC(NC6=CC=C(NC=7C(Cl)=C(Cl)N=C(Cl)N7)C=C6)=C5)[O-]2)=CC(S(=O)(=O)[O-])=C1.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C1=CC2=C([O-][Cu+2]3[O-]C=4C(N=[N]23)=C(C=C5C=C(C=CC54)NC6=CC=C(C=C6)NC=7N=C(Cl)N=C(Cl)C7Cl)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

Other Names for this Substance

  • Cuprate(3-), [4-(hydroxy-κO)-5-[2-[1-(hydroxy-κO)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]diazenyl-κN1]-1,3-benzenedisulfonato(5-)]-, sodium (1:3)
  • Cuprate(3-), [4-hydroxy-5-[[1-hydroxy-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]azo]-1,3-benzenedisulfonato(5-)]-, trisodium
  • Cuprate(3-), [4-(hydroxy-κO)-5-[[1-(hydroxy-κO)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]azo-κN1]-1,3-benzenedisulfonato(5-)]-, trisodium
  • 1,3-Benzenedisulfonic acid, 4-hydroxy-5-[[1-hydroxy-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]azo]-, copper complex

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