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

80997-91-7

CAS Name

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

Molecular Formula

C₃₅H₂₅CrN₁₀O₁₀S.2Na

Molecular Mass

875.68

Other Names and Identifiers

InChI

InChI=1S/C19H15N6O5.C16H13N4O5S.Cr.2Na/c1-3-17(27)20-12-4-6-13(7-5-12)24-19(28)18(11(2)23-24)22-21-15-10-14(25(29)30)8-9-16(15)26;1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21;;;/h3-10,26H,1H2,2H3,(H,20,27);2-9,21H,1H3,(H,23,24,25);;;/q2*-1;+3;2*+1/p-3

InChIKey

InChIKey=GBIISZWCLIGLEQ-UHFFFAOYSA-K

SMILES

CC=1[C-]2[N]=3[Cr+3]45([N](C=6C([O-]4)=CC=C(S(=O)(=O)[O-])C6)=N[C-]7C(=O5)N(N=C7C)C8=CC=CC=C8)(O=C2N(N1)C9=CC=C(NC(C=C)=O)C=C9)[O-]C=%10C(N3)=CC(N(=O)=O)=CC%10.[Na+]

Canonical SMILES

[Na+].O=C(C=C)NC1=CC=C(C=C1)N2N=C([C-]3C2=O[Cr+3]456(O=C7[C-](N=[N]5C=8C=C(C=CC8[O-]4)S(=O)(=O)[O-])C(=NN7C=9C=CC=CC9)C)[O-]C=%10C=CC(=CC%10N=[N]36)N(=O)=O)C

Other Names for this Substance