Benzenesulfonic acid, 5-chloro-3-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]-2-hydroxy-, chromium complex

82933-90-2

CAS Name

Chromate(1-), [5-chloro-3-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl-κN¹]-2-(hydroxy-κO)benzenesulfonato(4-)]-, sodium (1:1)

Molecular Formula

C₁₆H₉ClCrN₄O₈S₂.Na

Molecular Mass

559.84

Other Names and Identifiers

InChI

InChI=1S/C16H12ClN4O8S2.Cr.Na/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26;;/h2-7,22H,1H3,(H,24,25,26)(H,27,28,29);;/q-1;+3;+1/p-3

InChIKey

InChIKey=FMOVBVTXFLEFDJ-UHFFFAOYSA-K

SMILES

S(=O)(=O)([O-])C1=C2C([N]=3[Cr+3]([O-]2)O=C4[C-](N3)C(C)=NN4C5=CC(S(=O)(=O)[O-])=CC=C5)=CC(Cl)=C1.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C=1C=CC=C(C1)N2N=C([C-]3N=[N]4C=5C=C(Cl)C=C(C5[O-][Cr+3]4O=C32)S(=O)(=O)[O-])C

Other Names for this Substance