6-methyl-5-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-methyl-5-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-methyl-4-oxo-5-(p-tolylsulfonyl)-1H-pyridine-3-carboxylic acid CAS Name: 6-methyl-5-(4-methylphenyl)sulfonyl-4-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-methyl-5-(4-methylphenyl)sulfonyl-4-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 4-keto-6-methyl-5-tosyl-1H-pyridine-3-carboxylic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC=C(C2=O)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC=C(C2=O)C(=O)O)C

InChI

InChI=1S/C14H13NO5S/c1-8-3-5-10(6-4-8)21(19,20)13-9(2)15-7-11(12(13)16)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)