6-[[5,5-dimethyl-3-(phenylmethyl)oxolan-2-yl]methyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[5,5-dimethyl-3-(phenylmethyl)oxolan-2-yl]methyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-benzyl-5,5-dimethyl-tetrahydrofuran-2-yl)methyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[5,5-dimethyl-3-(phenylmethyl)-2-oxolanyl]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-benzyl-5,5-dimethyloxolan-2-yl)methyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-benzyl-5,5-dimethyl-tetrahydrofuran-2-yl)methyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(O1)CC2CC=CCC2C(=O)O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(C(O1)CC2CC=CCC2C(=O)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H28O3/c1-21(2)14-17(12-15-8-4-3-5-9-15)19(24-21)13-16-10-6-7-11-18(16)20(22)23/h3-9,16-19H,10-14H2,1-2H3,(H,22,23)