4-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanylidene-pentanoic acid

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanylidene-pentanoic acid Openeye Name: 4-(2,3-dihydrobenzofuran-7-yl)-4-methyl-2-oxo-pentanoic acid CAS Name: 4-(2,3-dihydrobenzofuran-7-yl)-4-methyl-2-oxopentanoic acid IUPAC Name: 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxopentanoic acid Traditional Name: 4-coumaran-7-yl-2-keto-4-methyl-valeric acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C(=O)O)C1=CC=CC2=C1OCC2

Isomeric SMILES

CC(C)(CC(=O)C(=O)O)C1=CC=CC2=C1OCC2

InChI

InChI=1S/C14H16O4/c1-14(2,8-11(15)13(16)17)10-5-3-4-9-6-7-18-12(9)10/h3-5H,6-8H2,1-2H3,(H,16,17)