(1S,2S)-2-(3-methylphenyl)carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-(3-methylphenyl)carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-(3-methylbenzoyl)cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[(3-methylphenyl)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-(3-methylbenzoyl)cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-m-toluoylcyclohexanecarboxylic acid Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)[C@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C15H18O3/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15(17)18/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,17,18)/t12-,13-/m0/s1