trisodium; 4-azanidyl-3-[(3,5-dinitro-2-oxidanidyl-phenyl)diazenyl]naphthalene-1-sulfonate; cobalt(3+)

Systemtic Name: trisodium; 4-azanidyl-3-[(3,5-dinitro-2-oxidanidyl-phenyl)diazenyl]naphthalene-1-sulfonate; cobalt(3+) Openeye Name: cobaltic trisodium 4-azanidyl-3-(3,5-dinitro-2-oxido-phenyl)azo-naphthalene-1-sulfonate CAS Name: trisodium; 4-azanidyl-3-(3,5-dinitro-2-oxidophenyl)azo-1-naphthalenesulfonate; cobalt(3+) IUPAC Name: trisodium; 4-azanidyl-3-[(3,5-dinitro-2-oxidophenyl)diazenyl]naphthalene-1-sulfonate; cobalt(3+) Traditional Name: cobaltic trisodium 4-amidyl-3-(3,5-dinitro-2-oxido-phenyl)azo-naphthalene-1-sulfonate Formula: C32H16CoN10Na3O16S2 MolecularWeight: 988.55935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2[NH-])N=NC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2[NH-])N=NC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Co+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2[NH-])N=NC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2[NH-])N=NC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Co+3]

InChI

InChI=1S/2C16H10N5O8S.Co.3Na/c2*17-15-10-4-2-1-3-9(10)14(30(27,28)29)7-11(15)18-19-12-5-8(20(23)24)6-13(16(12)22)21(25)26;;;;/h2*1-7H,(H3-,17,18,19,22,27,28,29);;;;/q2*-1;+3;3*+1/p-4