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

Systemtic Name: cobalt(3+); hydron; 5-methyl-4-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]-2-phenyl-pyrazol-3-olate Openeye Name: cobaltic; hydron; 5-methyl-4-(2-oxido-5-sulfamoyl-phenyl)azo-2-phenyl-pyrazol-3-olate CAS Name: cobalt(3+); hydron; 5-methyl-4-(2-oxido-5-sulfamoylphenyl)azo-2-phenyl-3-pyrazololate IUPAC Name: cobalt(3+); hydron; 5-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-2-phenylpyrazol-3-olate Traditional Name: cobaltic; hydron; 5-methyl-4-(2-oxido-5-sulfamoyl-phenyl)azo-2-phenyl-pyrazol-3-olate Formula: C32H27CoN10O8S2 MolecularWeight: 802.68218

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H15N5O4S.Co/c2*1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22;/h2*2-9,22-23H,1H3,(H2,17,24,25);/q;;+3/p-3