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

Systemtic Name: 2-[7-(4-methylphenyl)carbonyl-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[6-hydroxy-7-(4-methylbenzoyl)-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[6-hydroxy-7-[(4-methylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[6-hydroxy-7-(4-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-(6-hydroxy-7-p-toluoyl-coumaran-5-yl)acetic acid Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)CC(=O)O)CCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)CC(=O)O)CCO3

InChI

InChI=1S/C18H16O5/c1-10-2-4-11(5-3-10)16(21)15-17(22)13(9-14(19)20)8-12-6-7-23-18(12)15/h2-5,8,22H,6-7,9H2,1H3,(H,19,20)