Benzenesulfonic acid, 5-chloro-2-hydroxy-3-[(5-hydroxynaphth[2,1-d]-1,3-oxathiol-4-yl)azo]-, S,S-dioxide, chromium complex

83733-24-8

CAS Name

Chromate(2-), [5-chloro-2-(hydroxy-κO)-3-[2-[5-(hydroxy-κO)-3,3-dioxidonaphth[2,1-d]-1,3-oxathiol-4-yl]diazenyl-κN¹]benzenesulfonato(3-)][2-chloro-6-[[[2-(hydroxy-κO)phenyl]methylene]amino-κN]-4-nitrophenolato(2-)-κO]-, sodium (1:2)

Molecular Formula

C₃₀H₁₅Cl₂CrN₄O₁₂S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C17H11ClN2O8S2.C13H9ClN2O4.Cr.2Na/c18-8-5-11(15(22)12(6-8)30(25,26)27)19-20-13-14(21)9-3-1-2-4-10(9)16-17(13)29(23,24)7-28-16;14-10-5-9(16(19)20)6-11(13(10)18)15-7-8-3-1-2-4-12(8)17;;;/h1-6,21-22H,7H2,(H,25,26,27);1-7,17-18H;;;/q;;+3;2*+1/p-5

InChIKey

InChIKey=HYYIVELILBTXRZ-UHFFFAOYSA-I

SMILES

S(=O)(=O)([O-])C1=C2[O-][Cr+3]345([N](C2=CC(Cl)=C1)=NC=6C([O-]3)=C7C(=C8C6S(=O)(=O)CO8)C=CC=C7)[N](C=9C([O-]4)=C(Cl)C=C(N(=O)=O)C9)=CC=%10C([O-]5)=CC=CC%10.[Na+]

Canonical SMILES

[Na+].O=N(=O)C=1C=C(Cl)C=2[O-][Cr+3]345([O-]C=6C=CC=CC6C=[N]3C2C1)[O-]C7=C(N=[N]5C=8C=C(Cl)C=C(C8[O-]4)S(=O)(=O)[O-])C9=C(OCS9(=O)=O)C=%10C=CC=CC7%10

Other Names for this Substance