cobalt; 5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: cobalt; 5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: cobalt; 5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-phenyl-1H-pyrazol-3-one CAS Name: cobalt; 5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: cobalt; 5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: cobalt; 4-[(N'E)-N'-(6-keto-3-mesyl-4-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C34H30CoN10O12S2 MolecularWeight: 893.725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)NN=C3C=C(C(=CC3=O)[N+](=O)[O-])S(=O)(=O)C.CC1=C(C(=O)N(N1)C2=CC=CC=C2)NN=C3C=C(C(=CC3=O)[N+](=O)[O-])S(=O)(=O)C.[Co]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)N/N=C\3/C(=O)C=C(C(=C3)S(=O)(=O)C)[N+](=O)[O-].CC1=C(C(=O)N(N1)C2=CC=CC=C2)N/N=C\3/C(=O)C=C(C(=C3)S(=O)(=O)C)[N+](=O)[O-].[Co]

InChI

InChI=1S/2C17H15N5O6S.Co/c2*1-10-16(17(24)21(20-10)11-6-4-3-5-7-11)19-18-12-8-15(29(2,27)28)13(22(25)26)9-14(12)23;/h2*3-9,19-20H,1-2H3;/b2*18-12+;