(8E)-3-(3-methylpyridin-2-yl)-4-oxidanylidene-8-(sulfohydrazinylidene)naphthalene-1-sulfonic acid

Systemtic Name: (8E)-3-(3-methylpyridin-2-yl)-4-oxidanylidene-8-(sulfohydrazinylidene)naphthalene-1-sulfonic acid Openeye Name: (8E)-3-(3-methyl-2-pyridyl)-4-oxo-8-(sulfohydrazono)naphthalene-1-sulfonic acid CAS Name: (8E)-3-(3-methyl-2-pyridinyl)-4-oxo-8-(sulfohydrazinylidene)-1-naphthalenesulfonic acid IUPAC Name: (8E)-3-(3-methylpyridin-2-yl)-4-oxo-8-(sulfohydrazinylidene)naphthalene-1-sulfonic acid Traditional Name: (8E)-4-keto-3-(3-methyl-2-pyridyl)-8-(sulfohydrazono)naphthalene-1-sulfonic acid Formula: C16H13N3O7S2 MolecularWeight: 423.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2=CC(=C3C(=NNS(=O)(=O)O)C=CC=C3C2=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C2=CC(=C3/C(=N/NS(=O)(=O)O)/C=CC=C3C2=O)S(=O)(=O)O

InChI

InChI=1S/C16H13N3O7S2/c1-9-4-3-7-17-15(9)11-8-13(27(21,22)23)14-10(16(11)20)5-2-6-12(14)18-19-28(24,25)26/h2-8,19H,1H3,(H,21,22,23)(H,24,25,26)/b18-12+