(3E)-6-acetamido-4-oxidanylidene-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-6-acetamido-4-oxidanylidene-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3E)-6-acetamido-4-oxo-3-[(3-phosphonophenyl)hydrazono]naphthalene-2-sulfonic acid CAS Name: (3E)-6-acetamido-4-oxo-3-[(3-phosphonophenyl)hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (3E)-6-acetamido-4-oxo-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (3E)-6-acetamido-4-keto-3-[(3-phosphonophenyl)hydrazono]naphthalene-2-sulfonic acid Formula: C18H16N3O8PS MolecularWeight: 465.373701

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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

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

InChI

InChI=1S/C18H16N3O8PS/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)/b21-17-