trisodium; cobalt(3+); (2Z)-2-[(5-nitro-2-oxidanidyl-3-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-N-phenyl-butanimidate

Systemtic Name: trisodium; cobalt(3+); (2Z)-2-[(5-nitro-2-oxidanidyl-3-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-N-phenyl-butanimidate Openeye Name: cobaltic trisodium (2Z)-2-[(5-nitro-2-oxido-3-sulfonato-phenyl)hydrazono]-3-oxo-N-phenyl-butanimidate CAS Name: trisodium; cobalt(3+); (2Z)-2-[(5-nitro-2-oxido-3-sulfonatophenyl)hydrazinylidene]-3-oxo-N-phenylbutanimidate IUPAC Name: trisodium; cobalt(3+); (2Z)-2-[(5-nitro-2-oxido-3-sulfonatophenyl)hydrazinylidene]-3-oxo-N-phenylbutanimidate Traditional Name: cobaltic trisodium (2Z)-3-keto-2-[(5-nitro-2-oxido-3-sulfonato-phenyl)hydrazono]-N-phenyl-butyrimidate Formula: C32H22CoN8Na3O16S2 MolecularWeight: 966.59359

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC(=CC(=C1[O-])S(=O)(=O)[O-])[N+](=O)[O-])C(=NC2=CC=CC=C2)[O-].CC(=O)C(=NNC1=CC(=CC(=C1[O-])S(=O)(=O)[O-])[N+](=O)[O-])C(=NC2=CC=CC=C2)[O-].[Na+].[Na+].[Na+].[Co+3]

Isomeric SMILES

CC(=O)/C(=N\NC1=CC(=CC(=C1[O-])S(=O)(=O)[O-])[N+](=O)[O-])/C(=NC2=CC=CC=C2)[O-].CC(=O)/C(=N\NC1=CC(=CC(=C1[O-])S(=O)(=O)[O-])[N+](=O)[O-])/C(=NC2=CC=CC=C2)[O-].[Na+].[Na+].[Na+].[Co+3]

InChI

InChI=1S/2C16H14N4O8S.Co.3Na/c2*1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;;/h2*2-8,18,22H,1H3,(H,17,23)(H,26,27,28);;;;/q;;+3;3*+1/p-6/b2*19-14+;;;;