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

Systemtic Name: 2-[6-methyl-7-(4-methylsulfonylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-7-(4-methylsulfonylbenzoyl)-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[6-methyl-7-[(4-methylsulfonylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[6-methyl-7-(4-methylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[7-(4-mesylbenzoyl)-6-methyl-coumaran-5-yl]acetic acid Formula: C19H18O6S MolecularWeight: 374.40762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCOC2=C1C(=O)C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O

Isomeric SMILES

CC1=C(C=C2CCOC2=C1C(=O)C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O

InChI

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