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

Systemtic Name: 2-[7-(4-methylsulfonylphenyl)carbonyl-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[6-hydroxy-7-(4-methylsulfonylbenzoyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[6-hydroxy-7-[(4-methylsulfonylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[6-hydroxy-7-(4-methylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[6-hydroxy-7-(4-mesylbenzoyl)coumaran-5-yl]propionic acid Formula: C19H18O7S MolecularWeight: 390.40702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C2C(=C1)CCO2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)O)C(=O)O

Isomeric SMILES

CC(C1=C(C(=C2C(=C1)CCO2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)O)C(=O)O

InChI

InChI=1S/C19H18O7S/c1-10(19(22)23)14-9-12-7-8-26-18(12)15(17(14)21)16(20)11-3-5-13(6-4-11)27(2,24)25/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,23)