sodium (3E)-4-oxidanylidene-6-(2-oxidanylidenepropylamino)-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: sodium (3E)-4-oxidanylidene-6-(2-oxidanylidenepropylamino)-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: sodium (3E)-6-(acetonylamino)-4-oxo-3-[(3-phosphonophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: sodium (3E)-4-oxo-6-(2-oxopropylamino)-3-[(3-phosphonophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: sodium (3E)-4-oxo-6-(2-oxopropylamino)-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: sodium (3E)-6-(acetonylamino)-4-keto-3-[(3-phosphonophenyl)hydrazono]naphthalene-2-sulfonate Formula: C19H17N3NaO8PS MolecularWeight: 501.382111

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1=CC2=C(C=C1)C=C(C(=NNC3=CC(=CC=C3)P(=O)(O)O)C2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)CNC1=CC2=C(C=C1)C=C(/C(=N/NC3=CC(=CC=C3)P(=O)(O)O)/C2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H18N3O8PS.Na/c1-11(23)10-20-13-6-5-12-7-17(32(28,29)30)18(19(24)16(12)9-13)22-21-14-3-2-4-15(8-14)31(25,26)27;/h2-9,20-21H,10H2,1H3,(H2,25,26,27)(H,28,29,30);/q;+1/p-1/b22-18-;