disodium (3Z)-6-acetamido-4-oxidanylidene-3-[(3-phosphonatophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-6-acetamido-4-oxidanylidene-3-[(3-phosphonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: disodium (3Z)-6-acetamido-4-oxo-3-[(3-phosphonatophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: disodium (3Z)-6-acetamido-4-oxo-3-[(3-phosphonatophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-6-acetamido-4-oxo-3-[(3-phosphonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: disodium (3Z)-6-acetamido-4-keto-3-[(3-phosphonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C18H13N3Na2O8PS- MolecularWeight: 508.329421

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C(=NNC3=CC(=CC=C3)P(=O)([O-])[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N\NC3=CC(=CC=C3)P(=O)([O-])[O-])/C2=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H16N3O8PS.2Na/c1-10(22)19-12-6-5-11-7-16(31(27,28)29)17(18(23)15(11)9-12)21-20-13-3-2-4-14(8-13)30(24,25)26;;/h2-9,20H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29);;/q;2*+1/p-3/b21-17+;;