5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxidanylidene-furan-3-carboxylic acid

Systemtic Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxidanylidene-furan-3-carboxylic acid Openeye Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxo-furan-3-carboxylic acid CAS Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxo-3-furancarboxylic acid IUPAC Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxofuran-3-carboxylic acid Traditional Name: 2-keto-4-(4-mesylphenyl)-5,5-dimethyl-3-furoic acid Formula: C14H14O6S MolecularWeight: 310.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C14H14O6S/c1-14(2)11(10(12(15)16)13(17)20-14)8-4-6-9(7-5-8)21(3,18)19/h4-7H,1-3H3,(H,15,16)