Benzoic acid, 4-[[8-hydroxy-7-[[2-hydroxy-4-[[3-sulfo-4-[2-[2-sulfo-4-[[4-[(4-sulfophenyl)azo]phenyl]-ONN-azoxy]phenyl]ethenyl]phenyl]-NNO-azoxy]phenyl]azo]-6-sulfo-2-naphthalenyl]amino]-, copper complex

CAS Name

Cuprate(5-), [4-[[8-(hydroxy-κO)-7-[2-[2-(hydroxy-κO)-4-[1-oxido-2-[3-sulfo-4-[2-[2-sulfo-4-[2-oxido-2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]diazenyl-κN¹]-6-sulfo-2-naphthalenyl]amino]benzoato(7-)]-, sodium hydrogen (1:4:1)

Molecular Formula

C₄₉H₂₈CuN₉O₁₈S₄.H.4Na

Molecular Mass

1315.58

Other Names and Identifiers

InChI

InChI=1S/C49H35N9O18S4.Cu.4Na/c59-43-27-39(19-22-42(43)53-54-47-46(80(74,75)76)23-31-7-10-35(24-41(31)48(47)60)50-32-8-5-30(6-9-32)49(61)62)58(64)56-37-12-4-29(45(26-37)79(71,72)73)2-1-28-3-11-36(25-44(28)78(68,69)70)55-57(63)38-17-13-33(14-18-38)51-52-34-15-20-40(21-16-34)77(65,66)67;;;;;/h1-27,50,59-60H,(H,61,62)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;/q;+2;4*+1/p-6

InChIKey

InChIKey=WNYOQPOZQQOQOE-UHFFFAOYSA-H

Canonical SMILES

[H+].[Na+].O=C([O-])C1=CC=C(C=C1)NC=2C=CC3=CC(=C4C([O-][Cu+2]5[O-]C6=CC(=CC=C6N=[N]45)N(=O)=NC7=CC=C(C=CC8=CC=C(N=N(=O)C9=CC=C(N=NC%10=CC=C(C=C%10)S(=O)(=O)[O-])C=C9)C=C8S(=O)(=O)[O-])C(=C7)S(=O)(=O)[O-])=C3C2)S(=O)(=O)[O-]

Other Names for this Substance