Benzenesulfonic acid, 3,3′-azoxybis[6-[2-[4-[[3-hydroxy-4-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]-2-sulfophenyl]ethenyl]-, copper complex

82027-60-9

CAS Name

Cuprate(6-), [μ-[[3,3′-(1-oxido-1,2-diazenediyl)bis[6-[2-[4-[2-[3-(hydroxy-κO)-4-[2-[2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN¹]phenyl]diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonato]](10-)]]di-, sodium (1:6)

Molecular Formula

C₅₂H₂₈Cu₂N₁₀O₂₃S₆.6Na

Molecular Mass

1618.26

Other Names and Identifiers

InChI

InChI=1S/C52H38N10O23S6.2Cu.6Na/c63-45-19-15-39(86(68,69)70)27-43(45)59-57-41-17-12-33(21-47(41)65)53-55-35-9-5-29(49(23-35)88(74,75)76)1-2-31-7-11-37(25-51(31)90(80,81)82)61-62(67)38-14-8-32(52(26-38)91(83,84)85)4-3-30-6-10-36(24-50(30)89(77,78)79)56-54-34-13-18-42(48(66)22-34)58-60-44-28-40(87(71,72)73)16-20-46(44)64;;;;;;;;/h1-28,63-66H,(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85);;;;;;;;/q;2*+2;6*+1/p-10

InChIKey

InChIKey=DCAIILQZDOAROT-UHFFFAOYSA-D

SMILES

N(=NC1=CC(S(=O)(=O)[O-])=C(C=CC2=C(S(=O)(=O)[O-])C=C(N(=NC3=CC(S(=O)(=O)[O-])=C(C=CC4=C(S(=O)(=O)[O-])C=C(N=NC=5C=C6C(=CC5)[N]=7[Cu+2]([O-]6)[O-]C=8C(N7)=CC(S(=O)(=O)[O-])=CC8)C=C4)C=C3)=O)C=C2)C=C1)C=9C=C%10C([N]=%11[Cu+2]([O-]%10)[O-]C=%12C(N%11)=CC(S(=O)(=O)[O-])=CC%12)=CC9.[Na+]

Canonical SMILES

[Na+].O=N(=NC1=CC=C(C=CC2=CC=C(N=NC=3C=CC4=C([O-][Cu+2]5[O-]C6=CC=C(C=C6N=[N]45)S(=O)(=O)[O-])C3)C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])C7=CC=C(C=CC8=CC=C(N=NC=9C=CC%10=C([O-][Cu+2]%11[O-]C%12=CC=C(C=C%12N=[N]%10%11)S(=O)(=O)[O-])C9)C=C8S(=O)(=O)[O-])C(=C7)S(=O)(=O)[O-]

Other Names for this Substance