(1R,6S)-3,4-dimethyl-6-(4-methylphenyl)carbonyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-3,4-dimethyl-6-(4-methylphenyl)carbonyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-3,4-dimethyl-6-(4-methylbenzoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-3,4-dimethyl-6-[(4-methylphenyl)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-3,4-dimethyl-6-(4-methylbenzoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-3,4-dimethyl-6-p-toluoyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)C2=CC=C(C=C2)C)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)C2=CC=C(C=C2)C)C(=O)O)C

InChI

InChI=1S/C17H20O3/c1-10-4-6-13(7-5-10)16(18)14-8-11(2)12(3)9-15(14)17(19)20/h4-7,14-15H,8-9H2,1-3H3,(H,19,20)/t14-,15+/m0/s1