4-[2,5-bis(oxidanyl)phenyl]-3-(4-methylsulfonylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,5-bis(oxidanyl)phenyl]-3-(4-methylsulfonylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,5-dihydroxyphenyl)-3-(4-methylsulfonylphenyl)-4-oxo-butanoic acid CAS Name: 4-(2,5-dihydroxyphenyl)-3-(4-methylsulfonylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(2,5-dihydroxyphenyl)-3-(4-methylsulfonylphenyl)-4-oxobutanoic acid Traditional Name: 4-(2,5-dihydroxyphenyl)-4-keto-3-(4-mesylphenyl)butyric acid Formula: C17H16O7S MolecularWeight: 364.36974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O7S/c1-25(23,24)12-5-2-10(3-6-12)13(9-16(20)21)17(22)14-8-11(18)4-7-15(14)19/h2-8,13,18-19H,9H2,1H3,(H,20,21)