(1S,2R)-2-(4-ethylphenyl)carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-(4-ethylphenyl)carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-(4-ethylbenzoyl)cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[(4-ethylphenyl)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-(4-ethylbenzoyl)cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-(4-ethylbenzoyl)cyclohexanecarboxylic acid Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C16H20O3/c1-2-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16(18)19/h7-10,13-14H,2-6H2,1H3,(H,18,19)/t13-,14+/m1/s1