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

85958-85-6

CAS Name

Chromate(1-), [3-[[[4,5-dihydro-3-methyl-5-(oxo-κO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]methylene]amino-κN]-2-(hydroxy-κO)-5-nitrobenzenesulfonato(4-)]-, sodium (1:1)

Molecular Formula

C₁₇H₁₀CrN₄O₁₀S₂.Na

Other Names and Identifiers

InChI

InChI=1S/C17H13N4O10S2.Cr.Na/c1-9-13(17(23)20(19-9)10-3-2-4-12(5-10)32(26,27)28)8-18-14-6-11(21(24)25)7-15(16(14)22)33(29,30)31;;/h2-8,22H,1H3,(H,26,27,28)(H,29,30,31);;/q-1;+3;+1/p-3

InChIKey

InChIKey=UVMLGEAHGHTPBT-UHFFFAOYSA-K

SMILES

S(=O)(=O)([O-])C1=C2C([N]=3[Cr+3]([O-]2)O=C4[C-](C3)C(C)=NN4C5=CC(S(=O)(=O)[O-])=CC=C5)=CC(N(=O)=O)=C1.[Na+]

Canonical SMILES

[Na+].O=N(=O)C1=CC2=C([O-][Cr+3]3O=C4[C-](C=[N]23)C(=NN4C5=CC=CC(=C5)S(=O)(=O)[O-])C)C(=C1)S(=O)(=O)[O-]

Other Names for this Substance