disodium 4-acetamido-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-1,7-disulfonate

Systemtic Name: disodium 4-acetamido-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-1,7-disulfonate Openeye Name: disodium 4-acetamido-5-oxo-6-(phenylhydrazono)naphthalene-1,7-disulfonate CAS Name: disodium 4-acetamido-5-oxo-6-(phenylhydrazinylidene)naphthalene-1,7-disulfonate IUPAC Name: disodium 4-acetamido-5-oxo-6-(phenylhydrazinylidene)naphthalene-1,7-disulfonate Traditional Name: disodium 4-acetamido-5-keto-6-(phenylhydrazono)naphthalene-1,7-disulfonate Formula: C18H13N3Na2O8S2 MolecularWeight: 509.42066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O8S2.2Na/c1-10(22)19-13-7-8-14(30(24,25)26)12-9-15(31(27,28)29)17(18(23)16(12)13)21-20-11-5-3-2-4-6-11;;/h2-9,20H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2