Benzenesulfonamide, 4-hydroxy-3-[(2-hydroxy-1-naphthalenyl)azo]-, chromium complex

82457-11-2

CAS Name

Chromate(1-), [3-[4,5-dihydro-4-[2-[2-(hydroxy-κO)-5-nitrophenyl]diazenyl-κN¹]-3-methyl-5-(oxo-κO)-1H-pyrazol-1-yl]benzenesulfonamidato(2-)][4-(hydroxy-κO)-3-[2-[2-(hydroxy-κO)-1-naphthalenyl]diazenyl-κN¹]benzenesulfonamidato(2-)]-, hydrogen (1:1)

Molecular Formula

C₃₂H₂₃CrN₉O₁₀S₂.H

Molecular Mass

810.72

Other Names and Identifiers

InChI

InChI=1S/C16H13N6O6S.C16H13N3O4S.Cr/c1-9-15(19-18-13-8-11(22(25)26)5-6-14(13)23)16(24)21(20-9)10-3-2-4-12(7-10)29(17,27)28;17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;/h2-8,23H,1H3,(H2,17,27,28);1-9,20-21H,(H2,17,22,23);/q-1;;+3/p-2

InChIKey

InChIKey=SUJFCMGPZMRWOK-UHFFFAOYSA-L

SMILES

CC=1[C-]2[N]=3[Cr+3]45([N](C=6C([O-]4)=CC=C(S(N)(=O)=O)C6)=NC=7C([O-]5)=CC=C8C7C=CC=C8)(O=C2N(N1)C9=CC(S(N)(=O)=O)=CC=C9)[O-]C=%10C(N3)=CC(N(=O)=O)=CC%10.[H+]

Canonical SMILES

[H+].O=N(=O)C=1C=CC=2[O-][Cr+3]345(O=C6[C-](C(=NN6C7=CC=CC(=C7)S(=O)(=O)N)C)[N]3=NC2C1)[O-]C=8C=CC=9C=CC=CC9C8N=[N]5C=%10C=C(C=CC%10[O-]4)S(=O)(=O)N

Other Names for this Substance