disodium; cobalt(3+); hydron; 3-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-4-oxidanidyl-7-[(3-phosphonatophenyl)amino]naphthalene-2-sulfonate

Systemtic Name: disodium; cobalt(3+); hydron; 3-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-4-oxidanidyl-7-[(3-phosphonatophenyl)amino]naphthalene-2-sulfonate Openeye Name: cobaltic; disodium; hydron; 3-(5-nitro-2-oxido-phenyl)azo-4-oxido-7-(3-phosphonatoanilino)naphthalene-2-sulfonate CAS Name: disodium; cobalt(3+); hydron; 3-(5-nitro-2-oxidophenyl)azo-4-oxido-7-(3-phosphonatoanilino)-2-naphthalenesulfonate IUPAC Name: disodium; cobalt(3+); hydron; 3-[(5-nitro-2-oxidophenyl)diazenyl]-4-oxido-7-(3-phosphonatoanilino)naphthalene-2-sulfonate Traditional Name: cobaltic; disodium; hydron; 3-(5-nitro-2-oxido-phenyl)azo-4-oxido-7-(3-phosphonatoanilino)naphthalene-2-sulfonate Formula: C44H29CoN8Na2O20P2S2 MolecularWeight: 1220.732922

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].[H+].[H+].C1=CC(=CC(=C1)P(=O)([O-])[O-])NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=CC(=C4)[N+](=O)[O-])[O-])S(=O)(=O)[O-].C1=CC(=CC(=C1)P(=O)([O-])[O-])NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=CC(=C4)[N+](=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Co+3]

Isomeric SMILES

[H+].[H+].[H+].[H+].[H+].C1=CC(=CC(=C1)P(=O)([O-])[O-])NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=CC(=C4)[N+](=O)[O-])[O-])S(=O)(=O)[O-].C1=CC(=CC(=C1)P(=O)([O-])[O-])NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=CC(=C4)[N+](=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Co+3]

InChI

InChI=1S/2C22H17N4O10PS.Co.2Na/c2*27-19-7-5-15(26(29)30)11-18(19)24-25-21-20(38(34,35)36)9-12-8-14(4-6-17(12)22(21)28)23-13-2-1-3-16(10-13)37(31,32)33;;;/h2*1-11,23,27-28H,(H2,31,32,33)(H,34,35,36);;;/q;;+3;2*+1/p-5