Benzoic acid, 2-[[4,5-dihydro-1-[4-[[3-hydroxy-4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-7-sulfo-1-naphthalenyl]azo]phenyl]-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo-, copper complex

CAS Name

Cuprate(4-), [2-[2-[4,5-dihydro-1-[4-[2-[3-(hydroxy-κO)-4-[2-[1-(hydroxy-κO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-κN¹]-7-sulfo-1-naphthalenyl]diazenyl]phenyl]-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfobenzoato(6-)]-, sodium (1:4)

Molecular Formula

C₄₃H₂₅CuN₉O₁₄S₃.4Na

Molecular Mass

1143.42

Other Names and Identifiers

InChI

InChI=1S/C43H31N9O14S3.Cu.4Na/c1-22-38(48-46-34-16-13-29(68(61,62)63)20-33(34)43(56)57)42(55)52(51-22)27-10-7-25(8-11-27)45-47-35-21-36(53)39(31-15-12-28(19-32(31)35)67(58,59)60)49-50-40-37(69(64,65)66)18-23-17-26(9-14-30(23)41(40)54)44-24-5-3-2-4-6-24;;;;;/h2-21,38,44,53-54H,1H3,(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;;/q;+2;4*+1/p-6

InChIKey

InChIKey=RKLAWPHJILLCMF-UHFFFAOYSA-H

Canonical SMILES

[Na+].O=C([O-])C1=CC(=CC=C1N=NC2C(=O)N(N=C2C)C3=CC=C(N=NC=4C=C5[O-][Cu+2]6[O-]C=7C(N=[N]6C5=C8C=CC(=CC48)S(=O)(=O)[O-])=C(C=C9C=C(C=CC97)NC=%10C=CC=CC%10)S(=O)(=O)[O-])C=C3)S(=O)(=O)[O-]

Other Names for this Substance