disodium (3E)-5-acetamido-4-oxidanylidene-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: disodium (3E)-5-acetamido-4-oxidanylidene-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-5-acetamido-4-oxo-3-[(3-phosphonophenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: disodium (3E)-5-acetamido-4-oxo-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-5-acetamido-4-oxo-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: disodium (3E)-5-acetamido-4-keto-3-[(3-phosphonophenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C18H14N3Na2O11PS2 MolecularWeight: 589.400561

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=NNC3=CC(=CC=C3)P(=O)(O)O)C2=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(/C(=N/NC3=CC(=CC=C3)P(=O)(O)O)/C2=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H16N3O11PS2.2Na/c1-9(22)19-14-8-13(34(27,28)29)5-10-6-15(35(30,31)32)17(18(23)16(10)14)21-20-11-3-2-4-12(7-11)33(24,25)26;;/h2-8,20H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/b21-17-;;