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

Systemtic Name: 2-[7-(4-methylsulfonylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[7-(4-methylsulfonylbenzoyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[7-[(4-methylsulfonylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[7-(4-methylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[7-(4-mesylbenzoyl)coumaran-5-yl]propionic acid Formula: C19H18O6S MolecularWeight: 374.40762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)OCC2)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)OCC2)C(=O)O

InChI

InChI=1S/C19H18O6S/c1-11(19(21)22)14-9-13-7-8-25-18(13)16(10-14)17(20)12-3-5-15(6-4-12)26(2,23)24/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)