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

85443-61-4

CAS Name

Chromate(1-), [5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulfonato(3-)]hydroxy-, sodium

Molecular Formula

C₁₆H₁₁ClCrN₄O₆S.Na

Other Names and Identifiers

InChI

InChI=1S/C16H12ClN4O5S.Cr.Na.H2O/c1-9-14(16(23)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)22)27(24,25)26;;;/h2-8,22H,1H3,(H,24,25,26);;;1H2/q-1;+3;+1;/p-3

InChIKey

InChIKey=WEJCUNLGELEVEY-UHFFFAOYSA-K

SMILES

[OH-][Cr+3]12[N](C=3C([O-]1)=C(S(=O)(=O)[O-])C=C(Cl)C3)=N[C-]4C(=O2)N(N=C4C)C5=CC=CC=C5.[Na+]

Canonical SMILES

[Na+].O=S(=O)([O-])C1=CC(Cl)=CC2=C1[O-][Cr+3]3([OH-])O=C4[C-](N=[N]23)C(=NN4C=5C=CC=CC5)C

Other Names for this Substance