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

CAS Registry Number®

106404-06-2

CAS Name

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

Molecular Formula

C29H23CuFN9O12S3.3Na

Molecular Mass

937.26

Cite this Page

Cuprate(3-), [2-[2-[[2-[3-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN2]phenylmethyl]diazenyl-κN1]-4-sulfobenzoato(5-)-κO]-, sodium (1:3).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106404-06-2 (retrieved 2025-07-30) (CAS RN: 106404-06-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H27FN9O12S3.Cu.3Na/c1-2-52(43,44)13-12-51-11-10-31-28-33-27(30)34-29(35-28)32-22-15-19(54(48,49)50)16-23(24(22)40)37-39-25(17-6-4-3-5-7-17)38-36-21-14-18(53(45,46)47)8-9-20(21)26(41)42;;;;/h2-9,14-16,40H,1,10-13H2,(H,41,42)(H,45,46,47)(H,48,49,50)(H2,31,32,33,34,35);;;;/q-1;+2;3*+1/p-4

InChIKey

InChIKey=KXXFHLLUPUAVRY-UHFFFAOYSA-J

SMILES

O=C1[O-][Cu+2]23[N](C=4C([O-]2)=C(NC=5N=C(NCCOCCS(C=C)(=O)=O)N=C(F)N5)C=C(S(=O)(=O)[O-])C4)=N[C-](N=[N]3C=6C1=CC=C(S(=O)(=O)[O-])C6)C7=CC=CC=C7.[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-])NC7=NC(F)=NC(=N7)NCCOCCS(=O)(=O)C=C

Other Names for this Substance

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

CAS INSIGHTSTM
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