8-acetamido-1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate; cobalt(3+); 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-sulfamoyl-phenolate

Systemtic Name: 8-acetamido-1-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-2-olate; cobalt(3+); 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-sulfamoyl-phenolate Openeye Name: cobaltic; 8-acetamido-1-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalen-2-olate; 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-sulfamoyl-phenolate CAS Name: 8-acetamido-1-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenolate; cobalt(3+); 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-sulfamoylphenolate IUPAC Name: 8-acetamido-1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate; cobalt(3+); 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-sulfamoylphenolate Traditional Name: cobaltic; 8-acetamido-1-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalen-2-olate; 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-4-sulfamoyl-phenolate Formula: C34H28CoN9O9S2 MolecularWeight: 829.70422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])C3=CC=CC=C3.CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].[Co+3]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])C3=CC=CC=C3.CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].[Co+3]

InChI

InChI=1S/C18H16N4O5S.C16H15N5O4S.Co/c1-10(23)20-13-4-2-3-11-5-7-16(25)18(17(11)13)22-21-14-9-12(28(19,26)27)6-8-15(14)24;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;/h2-9,24-25H,1H3,(H,20,23)(H2,19,26,27);2-9,15,22H,1H3,(H2,17,24,25);/q;;+3/p-3