6-(4-methylsulfonylphenyl)-4-oxidanylidene-pyran-2-carboxylic acid

Systemtic Name: 6-(4-methylsulfonylphenyl)-4-oxidanylidene-pyran-2-carboxylic acid Openeye Name: 6-(4-methylsulfonylphenyl)-4-oxo-pyran-2-carboxylic acid CAS Name: 6-(4-methylsulfonylphenyl)-4-oxo-2-pyrancarboxylic acid IUPAC Name: 6-(4-methylsulfonylphenyl)-4-oxopyran-2-carboxylic acid Traditional Name: 4-keto-6-(4-mesylphenyl)pyran-2-carboxylic acid Formula: C13H10O6S MolecularWeight: 294.2799

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=O)C=C(O2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C13H10O6S/c1-20(17,18)10-4-2-8(3-5-10)11-6-9(14)7-12(19-11)13(15)16/h2-7H,1H3,(H,15,16)