2-Naphthalenesulfonic acid, 7,7′-[[6-(phenylamino)-1,3,5-triazine-2,4-diyl]diimino]bis[3-[(3-chloro-2-hydroxy-5-sulfophenyl)azo]-4-hydroxy-, copper complex

80448-88-0

CAS Name

Cuprate(4-), [μ-[[7,7′-[[6-(phenylamino)-1,3,5-triazine-2,4-diyl]diimino]bis[3-[2-[3-chloro-2-(hydroxy-κO)-5-sulfophenyl]diazenyl-κN¹]-4-(hydroxy-κO)-2-naphthalenesulfonato]](8-)]]di-, sodium (1:4)

Molecular Formula

C₄₁H₂₀Cl₂Cu₂N₁₀O₁₆S₄.4Na

Molecular Mass

1326.88

Other Names and Identifiers

InChI

InChI=1S/C41H28Cl2N10O16S4.2Cu.4Na/c42-27-14-23(70(58,59)60)16-29(37(27)56)50-52-33-31(72(64,65)66)12-18-10-21(6-8-25(18)35(33)54)45-40-47-39(44-20-4-2-1-3-5-20)48-41(49-40)46-22-7-9-26-19(11-22)13-32(73(67,68)69)34(36(26)55)53-51-30-17-24(71(61,62)63)15-28(43)38(30)57;;;;;;/h1-17,54-57H,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H3,44,45,46,47,48,49);;;;;;/q;2*+2;4*+1/p-8

InChIKey

InChIKey=IDGXQZNMFMMJKB-UHFFFAOYSA-F

SMILES

S(=O)(=O)([O-])C1=C2C(=C3C(=C1)C=C(NC=4N=C(NC5=CC=6C(C=C5)=C7C(=C(S(=O)(=O)[O-])C6)[N]=8[Cu+2]([O-]7)[O-]C=9C(N8)=CC(S(=O)(=O)[O-])=CC9Cl)N=C(NC%10=CC=CC=C%10)N4)C=C3)[O-][Cu+2]%11[N]2=NC=%12C([O-]%11)=C(Cl)C=C(S(=O)(=O)[O-])C%12.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C1=CC(Cl)=C2[O-][Cu+2]3[O-]C4=C5C=CC(=CC5=CC(=C4[N]3=NC2=C1)S(=O)(=O)[O-])NC6=NC(=NC(=N6)NC=7C=CC=8C(C7)=CC(=C9C8[O-][Cu+2]%10[O-]C%11=C(Cl)C=C(C=C%11N=[N]9%10)S(=O)(=O)[O-])S(=O)(=O)[O-])NC=%12C=CC=CC%12

Other Names for this Substance