chromium(3+); hydron; 5-methyl-4-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]-2-(4-sulfamoylphenyl)pyrazol-3-olate

Systemtic Name: chromium(3+); hydron; 5-methyl-4-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]-2-(4-sulfamoylphenyl)pyrazol-3-olate Openeye Name: chromic; hydron; 5-methyl-4-(2-oxido-5-sulfamoyl-phenyl)azo-2-(4-sulfamoylphenyl)pyrazol-3-olate CAS Name: chromium(3+); hydron; 5-methyl-4-(2-oxido-5-sulfamoylphenyl)azo-2-(4-sulfamoylphenyl)-3-pyrazololate IUPAC Name: chromium(3+); hydron; 5-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-2-(4-sulfamoylphenyl)pyrazol-3-olate Traditional Name: chromic; hydron; 5-methyl-4-(2-oxido-5-sulfamoyl-phenyl)azo-2-(4-sulfamoylphenyl)pyrazol-3-olate Formula: C32H29CrN12O12S4 MolecularWeight: 953.90196

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Cr+3]

Isomeric SMILES

[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Cr+3]

InChI

InChI=1S/2C16H16N6O6S2.Cr/c2*1-9-15(20-19-13-8-12(30(18,27)28)6-7-14(13)23)16(24)22(21-9)10-2-4-11(5-3-10)29(17,25)26;/h2*2-8,23-24H,1H3,(H2,17,25,26)(H2,18,27,28);/q;;+3/p-3