3-[(4E)-5-(hydroxymethyl)-1,2-dimethyl-3-oxidanylidene-4-(oxidanylmethylidene)pyridin-2-yl]-4-methyl-benzenesulfonate

Systemtic Name: 3-[(4E)-5-(hydroxymethyl)-1,2-dimethyl-3-oxidanylidene-4-(oxidanylmethylidene)pyridin-2-yl]-4-methyl-benzenesulfonate Openeye Name: 3-[(4E)-5-(hydroxymethyl)-4-(hydroxymethylene)-1,2-dimethyl-3-oxo-2-pyridyl]-4-methyl-benzenesulfonate CAS Name: 3-[(4E)-5-(hydroxymethyl)-4-(hydroxymethylidene)-1,2-dimethyl-3-oxo-2-pyridinyl]-4-methylbenzenesulfonate IUPAC Name: 3-[(4E)-5-(hydroxymethyl)-4-(hydroxymethylidene)-1,2-dimethyl-3-oxopyridin-2-yl]-4-methylbenzenesulfonate Traditional Name: 3-[(4E)-4-(hydroxymethylene)-3-keto-1,2-dimethyl-5-methylol-2-pyridyl]-4-methyl-besylate Formula: C16H18NO6S- MolecularWeight: 352.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2(C(=O)C(=CO)C(=CN2C)CO)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2(C(=O)/C(=C/O)/C(=CN2C)CO)C

InChI

InChI=1S/C16H19NO6S/c1-10-4-5-12(24(21,22)23)6-14(10)16(2)15(20)13(9-19)11(8-18)7-17(16)3/h4-7,9,18-19H,8H2,1-3H3,(H,21,22,23)/p-1/b13-9+