6-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[hydroxy-(2-methylcoumaran-5-yl)methyl]cyclohex-3-ene-1-carboxylic acid Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(C3CC=CCC3C(=O)O)O

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C(C3CC=CCC3C(=O)O)O

InChI

InChI=1S/C17H20O4/c1-10-8-12-9-11(6-7-15(12)21-10)16(18)13-4-2-3-5-14(13)17(19)20/h2-3,6-7,9-10,13-14,16,18H,4-5,8H2,1H3,(H,19,20)