sodium (8E)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonate

Systemtic Name: sodium (8E)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonate Openeye Name: sodium (8E)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-oxo-naphthalene-1-sulfonate CAS Name: sodium (8E)-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-1-naphthalenesulfonate IUPAC Name: sodium (8E)-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonate Traditional Name: sodium (8E)-5-keto-8-[(2-mesyl-4-nitro-phenyl)hydrazono]naphthalene-1-sulfonate Formula: C17H12N3NaO8S2 MolecularWeight: 473.41225

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NN=C2C=CC(=O)C3=C2C(=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N/N=C/2\C=CC(=O)C3=C2C(=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H13N3O8S2.Na/c1-29(24,25)16-9-10(20(22)23)5-6-12(16)18-19-13-7-8-14(21)11-3-2-4-15(17(11)13)30(26,27)28;/h2-9,18H,1H3,(H,26,27,28);/q;+1/p-1/b19-13+;