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

86437-49-2

CAS Name

Cuprate(3-), [μ-[4-[[3,3′-dihydroxy-4′-[[1-hydroxy-7-(phenylamino)-3-sulfo-2-naphthalenyl]azo][1,1′-biphenyl]-4-yl]azo]-3-hydroxy-2,7-naphthalenedisulfonato(7-)]]di-, trisodium

Molecular Formula

C₃₈H₂₀Cu₂N₅O₁₃S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C38H27N5O13S3.2Cu.3Na/c44-31-15-20(7-12-29(31)40-42-35-27-11-10-26(57(48,49)50)14-23(27)18-34(38(35)47)59(54,55)56)21-8-13-30(32(45)16-21)41-43-36-33(58(51,52)53)17-22-6-9-25(19-28(22)37(36)46)39-24-4-2-1-3-5-24;;;;;/h1-19,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;2*+2;3*+1/p-7

InChIKey

InChIKey=ZHYJIJLYGMEFJV-UHFFFAOYSA-G

SMILES

S(=O)(=O)([O-])C=1C2=C([N]=3[Cu+2]([O-]2)[O-]C=4C(N3)=CC=C(C4)C=5C=C6C(=CC5)[N]=7[Cu+2]([O-]6)[O-]C=8C(N7)=C(S(=O)(=O)[O-])C=C9C8C=C(NC%10=CC=CC=C%10)C=C9)C=%11C(C1)=CC(S(=O)(=O)[O-])=CC%11.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C3[O-][Cu+2]4[O-]C=5C=C(C=CC5N=[N]4C32)C=6C=CC7=C([O-][Cu+2]8[O-]C9=C(N=[N]78)C(=CC%10=CC=C(C=C%109)NC=%11C=CC=CC%11)S(=O)(=O)[O-])C6)S(=O)(=O)[O-]

Other Names for this Substance