CAS Registry Number®
81611-05-4
CAS Name
Cuprate(3-), [2-[2-[[2-[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN2]phenylmethyl]diazenyl-κN1]-5-sulfobenzoato(5-)-κO]-, sodium (1:3)
Molecular Formula
C24H11ClCuF2N7O9S2.3Na
Molecular Mass
811.48
Other Names and Identifiers
InChI
InChI=1S/C24H15ClF2N7O9S2.Cu.3Na/c25-18-20(26)29-24(27)30-22(18)28-16-9-13(45(41,42)43)10-17(19(16)35)32-34-21(11-4-2-1-3-5-11)33-31-15-7-6-12(44(38,39)40)8-14(15)23(36)37;;;;/h1-10,35H,(H,36,37)(H,28,29,30)(H,38,39,40)(H,41,42,43);;;;/q-1;+2;3*+1/p-4
InChIKey
InChIKey=UFPNUIOSOUMUPT-UHFFFAOYSA-J
SMILES
O=C1[O-][Cu+2]23[N](C=4C([O-]2)=C(NC=5C(Cl)=C(F)N=C(F)N5)C=C(S(=O)(=O)[O-])C4)=N[C-](N=[N]3C=6C1=CC(S(=O)(=O)[O-])=CC6)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=CC(=CC15)S(=O)(=O)[O-])C=6C=CC=CC6)S(=O)(=O)[O-])NC=7N=C(F)N=C(F)C7Cl
Other Names for this Substance
- Cuprate(3-), [2-[2-[[2-[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN2]phenylmethyl]diazenyl-κN1]-5-sulfobenzoato(5-)-κO]-, sodium (1:3)
- Cuprate(3-), [2-[[[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-hydroxy-5-sulfophenyl]azo]phenylmethyl]azo]-5-sulfobenzoato(5-)]-, trisodium
- Cuprate(3-), [2-[[[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-(hydroxy-κO)-5-sulfophenyl]azo-κN2]phenylmethyl]azo-κN1]-5-sulfobenzoato(5-)-κO]-, trisodium
- Benzoic acid, 2-[[[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-hydroxy-5-sulfophenyl]azo]phenylmethyl]azo]-5-sulfo-, copper complex
Deleted or Replaced CAS Registry Numbers
121718-68-1
