Cuprate(4-), [2-[[4-fluoro-6-[methyl[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-(hydroxy-κO)-6-[[2-[[2-(hydroxy-κO)-5-sulfophenyl]azo-κN1]-4,5-dimethoxyphenyl]azo-κN1]-1,7-naphthalenedisulfonato(6-)]-, tetrasodium

479541-17-8

CAS Name

Cuprate(4-), [2-[[4-fluoro-6-[methyl[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-(hydroxy-κO)-6-[2-[2-[2-[2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN¹]-4,5-dimethoxyphenyl]diazenyl-κN¹]-1,7-naphthalenedisulfonato(6-)]-, sodium (1:4)

Molecular Formula

C₃₂H₂₆CuFN₉O₁₉S₅.4Na

Other Names and Identifiers

InChI

InChI=1S/C32H32FN9O19S5.Cu.4Na/c1-42(8-10-62(45,46)11-9-61-66(56,57)58)32-36-30(33)35-31(37-32)34-19-6-5-17-18(29(19)65(53,54)55)13-26(64(50,51)52)27(28(17)44)41-39-21-15-25(60-3)24(59-2)14-20(21)38-40-22-12-16(63(47,48)49)4-7-23(22)43;;;;;/h4-7,12-15,43-44H,8-11H2,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,34,35,36,37);;;;;/q;+2;4*+1/p-6

InChIKey

InChIKey=GTHWOGRBEVMOCS-UHFFFAOYSA-H

SMILES

S(=O)(=O)([O-])C1=C2[N]=3[Cu+2]4([N](C=5C(N3)=CC(OC)=C(OC)C5)=NC=6C([O-]4)=CC=C(S(=O)(=O)[O-])C6)[O-]C2=C7C(=C1)C(S(=O)(=O)[O-])=C(NC=8N=C(N(CCS(CCOS(=O)(=O)[O-])(=O)=O)C)N=C(F)N8)C=C7.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])OCCS(=O)(=O)CCN(C=1N=C(F)N=C(N1)NC=2C=CC3=C4[O-][Cu+2]56[O-]C7=CC=C(C=C7N=[N]6C=8C=C(OC)C(OC)=CC8N=[N]5C4=C(C=C3C2S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C

Other Names for this Substance