2-[7-(4-methylsulfonylphenyl)carbonyl-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[7-(4-methylsulfonylphenyl)carbonyl-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[6-hydroxy-7-(4-methylsulfonylbenzoyl)-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[6-hydroxy-7-[(4-methylsulfonylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[6-hydroxy-7-(4-methylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[6-hydroxy-7-(4-mesylbenzoyl)coumaran-5-yl]acetic acid Formula: C18H16O7S MolecularWeight: 376.38044

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)CC(=O)O)CCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)CC(=O)O)CCO3

InChI

InChI=1S/C18H16O7S/c1-26(23,24)13-4-2-10(3-5-13)16(21)15-17(22)12(9-14(19)20)8-11-6-7-25-18(11)15/h2-5,8,22H,6-7,9H2,1H3,(H,19,20)