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

Systemtic Name: 2-[7-(4-methylsulfinylphenyl)carbonyl-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[6-hydroxy-7-(4-methylsulfinylbenzoyl)-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[6-hydroxy-7-[(4-methylsulfinylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[6-hydroxy-7-(4-methylsulfinylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[6-hydroxy-7-(4-methylsulfinylbenzoyl)coumaran-5-yl]acetic acid Formula: C18H16O6S MolecularWeight: 360.38104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O6S/c1-25(23)13-4-2-10(3-5-13)16(21)15-17(22)12(9-14(19)20)8-11-6-7-24-18(11)15/h2-5,8,22H,6-7,9H2,1H3,(H,19,20)