Chlorantine Fast Rubine RLL

80448-87-9

CAS Name

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

Molecular Formula

C₄₁H₂₂Cu₂N₁₀O₁₆S₄.4Na

Molecular Mass

1257.99

Other Names and Identifiers

InChI

InChI=1S/C41H30N10O16S4.2Cu.4Na/c52-31-12-8-25(68(56,57)58)18-29(31)48-50-35-33(70(62,63)64)16-20-14-23(6-10-27(20)37(35)54)43-40-45-39(42-22-4-2-1-3-5-22)46-41(47-40)44-24-7-11-28-21(15-24)17-34(71(65,66)67)36(38(28)55)51-49-30-19-26(69(59,60)61)9-13-32(30)53;;;;;;/h1-19,52-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H3,42,43,44,45,46,47);;;;;;/q;2*+2;4*+1/p-8

InChIKey

InChIKey=GWGJTMKUWXJKQB-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-])=CC9)N=C(NC%10=CC=CC=C%10)N4)C=C3)[O-][Cu+2]%11[N]2=NC=%12C([O-]%11)=CC=C(S(=O)(=O)[O-])C%12.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C1=CC=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=CC=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