2-(4-methyl-2-oxidanyl-6-oxidanylidene-3-sulfo-pyridin-1-yl)benzoic acid

Systemtic Name: 2-(4-methyl-2-oxidanyl-6-oxidanylidene-3-sulfo-pyridin-1-yl)benzoic acid Openeye Name: 2-(2-hydroxy-4-methyl-6-oxo-3-sulfo-1-pyridyl)benzoic acid CAS Name: 2-(2-hydroxy-4-methyl-6-oxo-3-sulfo-1-pyridinyl)benzoic acid IUPAC Name: 2-(2-hydroxy-4-methyl-6-oxo-3-sulfopyridin-1-yl)benzoic acid Traditional Name: 2-(2-hydroxy-6-keto-4-methyl-3-sulfo-1-pyridyl)benzoic acid Formula: C13H11NO7S MolecularWeight: 325.29394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1S(=O)(=O)O)O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=O)N(C(=C1S(=O)(=O)O)O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H11NO7S/c1-7-6-10(15)14(12(16)11(7)22(19,20)21)9-5-3-2-4-8(9)13(17)18/h2-6,16H,1H3,(H,17,18)(H,19,20,21)