1,6-Naphthalenedisulfonic acid, 8-hydroxy-7-[[3-hydroxy-4′-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3′-methoxy[1,1′-biphenyl]-4-yl]azo]-, copper complex

83232-52-4

CAS Name

Cuprate(3-), [8-hydroxy-7-[[3-hydroxy-4′-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3′-methoxy[1,1′-biphenyl]-4-yl]azo]-1,6-naphthalenedisulfonato(5-)]-, trisodium

Molecular Formula

C₃₉H₂₄CuN₅O₁₃S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C39H29N5O13S3.Cu.3Na/c1-57-31-18-22(11-15-29(31)42-43-36-34(60(54,55)56)20-24-16-26(12-13-27(24)38(36)46)40-25-7-3-2-4-8-25)21-10-14-28(30(45)17-21)41-44-37-33(59(51,52)53)19-23-6-5-9-32(58(48,49)50)35(23)39(37)47;;;;/h2-20,40,45-47H,1H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;+2;3*+1/p-5

InChIKey

InChIKey=RRKUJRMUYUAZEX-UHFFFAOYSA-I

SMILES

S(=O)(=O)([O-])C1=C2C(=C3C(=C1)C=CC=C3S(=O)(=O)[O-])[O-][Cu+2]4[N]2=NC=5C([O-]4)=CC(=CC5)C6=CC(OC)=C(N=NC=7C(S(=O)(=O)[O-])=CC8=C(C7O)C=CC(NC9=CC=CC=C9)=C8)C=C6.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C1=CC=CC2=CC(=C3C([O-][Cu+2]4[O-]C5=CC(=CC=C5N=[N]34)C6=CC=C(N=NC=7C(O)=C8C=CC(=CC8=CC7S(=O)(=O)[O-])NC=9C=CC=CC9)C(OC)=C6)=C21)S(=O)(=O)[O-]

Other Names for this Substance