2-Naphthalenesulfonic acid, 4-hydroxy-7-[[5-hydroxy-6-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]-2-naphthalenyl]amino]-3-[(2-hydroxy-5-nitro-3-sulfophenyl)azo]-, copper complex

85977-50-0

CAS Name

Cuprate(4-), [μ-[4-(hydroxy-κO)-7-[[5-(hydroxy-κO)-6-[2-[2-(hydroxy-κO)-3-nitro-5-sulfophenyl]diazenyl-κN¹]-7-sulfo-2-naphthalenyl]amino]-3-[2-[2-(hydroxy-κO)-5-nitro-3-sulfophenyl]diazenyl-κN¹]-2-naphthalenesulfonato(8-)]]di-, sodium (1:4)

Molecular Formula

C₃₂H₁₃Cu₂N₇O₂₀S₄.4Na

Other Names and Identifiers

InChI

InChI=1S/C32H21N7O20S4.2Cu.4Na/c40-29-19-3-1-15(5-13(19)7-24(61(51,52)53)27(29)36-34-21-9-17(38(44)45)10-26(32(21)43)63(57,58)59)33-16-2-4-20-14(6-16)8-25(62(54,55)56)28(30(20)41)37-35-22-11-18(60(48,49)50)12-23(31(22)42)39(46)47;;;;;;/h1-12,33,40-43H,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;;;/q;2*+2;4*+1/p-8

InChIKey

InChIKey=OQLFTDOYAUFSRL-UHFFFAOYSA-F

SMILES

S(=O)(=O)([O-])C1=C2C(=C3C(=C1)C=C(NC4=CC=5C(C=C4)=C6C(=C(S(=O)(=O)[O-])C5)[N]=7[Cu+2]([O-]6)[O-]C=8C(N7)=CC(S(=O)(=O)[O-])=CC8N(=O)=O)C=C3)[O-][Cu+2]9[N]2=NC=%10C([O-]9)=C(S(=O)(=O)[O-])C=C(N(=O)=O)C%10.[Na+]

Canonical SMILES

[Na+].O=N(=O)C1=CC=2N=[N]3C=4C([O-][Cu+2]3[O-]C2C(=C1)S(=O)(=O)[O-])=C5C=CC(=CC5=CC4S(=O)(=O)[O-])NC=6C=CC=7C(C6)=CC(=C8C7[O-][Cu+2]9[O-]C%10=C(N=[N]89)C=C(C=C%10N(=O)=O)S(=O)(=O)[O-])S(=O)(=O)[O-]

Other Names for this Substance