2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[[4′-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-3,3′-dihydroxy[1,1′-biphenyl]-4-yl]azo]-4-hydroxy-, copper complex

83232-54-6

CAS Name

Cuprate(3-), [μ-[5-(acetylamino)-3-[[4′-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-3,3′-dihydroxy[1,1′-biphenyl]-4-yl]azo]-4-hydroxy-2,7-naphthalenedisulfonato(7-)]]di-, trisodium

Molecular Formula

C₃₄H₁₈Cu₂N₅O₁₅S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C34H25N5O15S3.2Cu.3Na/c1-15(40)35-23-13-19(55(46,47)48)9-18-12-29(57(52,53)54)32(34(45)30(18)23)39-37-22-8-6-17(11-27(22)43)16-5-7-21(26(42)10-16)36-38-24-14-28(56(49,50)51)20-3-2-4-25(41)31(20)33(24)44;;;;;/h2-14,41-45H,1H3,(H,35,40)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;/q;2*+2;3*+1/p-7

InChIKey

InChIKey=UIZGSRGDLAZXFJ-UHFFFAOYSA-G

SMILES

S(=O)(=O)([O-])C1=C2C(=C3C(=C1)C=C(S(=O)(=O)[O-])C=C3NC(C)=O)[O-][Cu+2]4[N]2=NC=5C([O-]4)=CC(=CC5)C=6C=C7C(=CC6)[N]=8[Cu+2]([O-]7)[O-]C=9C(N8)=CC(S(=O)(=O)[O-])=C%10C9C(O)=CC=C%10.[Na+]

Canonical SMILES

[Na+].O=C(NC=1C=C(C=C2C=C(C3=C([O-][Cu+2]4[O-]C=5C=C(C=CC5N=[N]34)C=6C=CC7=C([O-][Cu+2]8[O-]C=9C(N=[N]78)=CC(=C%10C=CC=C(O)C9%10)S(=O)(=O)[O-])C6)C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C

Other Names for this Substance