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

83733-02-2

CAS Name

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

Molecular Formula

C₃₇H₂₀CrN₅O₁₂S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C20H14N2O5S.C17H11N3O7S.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;21-13-7-9(20(23)24)5-6-12(13)18-19-14-15(22)10-3-1-2-4-11(10)16-17(14)28(25,26)8-27-16;;;/h1-11,23-24H,(H,25,26,27);1-7,21-22H,8H2;;;/q;;+3;2*+1/p-5

InChIKey

InChIKey=LJAHWEKOSAGIQC-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=C(N(=O)=O)C%12.[Na+]

Canonical SMILES

[Na+].O=N(=O)C1=CC=C2N=[N]3C=4C([O-][Cr+3]563([O-]C=7C=CC=8C=CC=CC8C7N=[N]6C=9C([O-]5)=CC(=C%10C=CC=CC%109)S(=O)(=O)[O-])[O-]C2=C1)=C%11C=CC=CC%11=C%12OCS(=O)(=O)C%124

Other Names for this Substance