Cuprate(4-), [2-[2-[[2-[3-[[4-fluoro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN2]phenylmethyl]diazenyl-κN1]-4-sulfobenzoato(6-)-κO]-, sodium (1:4)

CAS Registry Number®

68912-12-9
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CAS Name

Cuprate(4-), [2-[2-[[2-[3-[[4-fluoro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN2]phenylmethyl]diazenyl-κN1]-4-sulfobenzoato(6-)-κO]-, sodium (1:4)

Molecular Formula

C29H16CuFN9O12S3.4Na

Cite this Page

Cuprate(4-), [2-[2-[[2-[3-[[4-fluoro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN2]phenylmethyl]diazenyl-κN1]-4-sulfobenzoato(6-)-κO]-, sodium (1:4).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68912-12-9 (retrieved 2024-09-21) (CAS RN: 68912-12-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H21FN9O12S3.Cu.4Na/c30-27-33-28(31-16-7-4-8-17(11-16)52(43,44)45)35-29(34-27)32-22-13-19(54(49,50)51)14-23(24(22)40)37-39-25(15-5-2-1-3-6-15)38-36-21-12-18(53(46,47)48)9-10-20(21)26(41)42;;;;;/h1-14,40H,(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,31,32,33,34,35);;;;;/q-1;+2;4*+1/p-5

InChIKey

InChIKey=VXRRCELXDCJWRE-UHFFFAOYSA-I

SMILES

O=C1[O-][Cu+2]23[N](C=4C([O-]2)=C(NC=5N=C(NC6=CC(S(=O)(=O)[O-])=CC=C6)N=C(F)N5)C=C(S(=O)(=O)[O-])C4)=N[C-](N=[N]3C=7C1=CC=C(S(=O)(=O)[O-])C7)C8=CC=CC=C8.[Na+]

Canonical SMILES

[Na+].O=C1[O-][Cu+2]23[O-]C=4C(=CC(=CC4[N]3=N[C-](N=[N]2C=5C=C(C=CC15)S(=O)(=O)[O-])C=6C=CC=CC6)S(=O)(=O)[O-])NC=7N=C(F)N=C(N7)NC8=CC=CC(=C8)S(=O)(=O)[O-]

Other Names for this Substance

  • Cuprate(4-), [2-[2-[[2-[3-[[4-fluoro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN2]phenylmethyl]diazenyl-κN1]-4-sulfobenzoato(6-)-κO]-, sodium (1:4)
  • Cuprate(4-), [2-[[[[3-[[4-fluoro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]azo]phenylmethyl]azo]-4-sulfobenzoato(6-)]-, tetrasodium
  • Cuprate(4-), [2-[[[[3-[[4-fluoro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-(hydroxy-κO)-5-sulfophenyl]azo-κN2]phenylmethyl]azo-κN1]-4-sulfobenzoato(6-)-κO]-, tetrasodium
  • Benzoic acid, 2-[[[[3-[[4-fluoro-6-[(3-sulfophenyl)azo]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]azo]phenylmethyl]azo]-4-sulfo-, copper complex