Naphth[2,1-d]-1,3-oxathiole, chromate(2-) deriv.

83733-03-3

CAS Name

Chromate(2-), [4-[(5-chloro-2-hydroxyphenyl)azo]naphth[2,1-d]-1,3-oxathiol-5-ol 3,3-dioxidato(2-)][3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonato(3-)]-, disodium

Molecular Formula

C₃₇H₂₀ClCrN₄O₁₀S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C20H14N2O5S.C17H11ClN2O5S.Cr.2Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;18-9-5-6-13(21)12(7-9)19-20-14-15(22)10-3-1-2-4-11(10)16-17(14)26(23,24)8-25-16;;;/h1-11,23-24H,(H,25,26,27);1-7,21-22H,8H2;;;/q;;+3;2*+1/p-5

InChIKey

InChIKey=NUSXQIKRFTVWPZ-UHFFFAOYSA-I

SMILES

O=S1(=O)C2=C3[N]=4[Cr+3]56([N](C=7C([O-]5)=CC(S(=O)(=O)[O-])=C8C7C=CC=C8)=NC=9C([O-]6)=CC=C%10C9C=CC=C%10)([O-]C3=C%11C(=C2OC1)C=CC=C%11)[O-]C=%12C(N4)=CC(Cl)=CC%12.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C=1C=C2[O-][Cr+3]345([O-]C6=CC=C(Cl)C=C6N=[N]4C=7C([O-]3)=C8C=CC=CC8=C9OCS(=O)(=O)C97)[O-]C=%10C=CC=%11C=CC=CC%11C%10N=[N]5C2=C%12C=CC=CC%121

Other Names for this Substance