1-[(3-methylphenyl)methyl]-4-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 1-(m-tolylmethyl)-4-oxo-cyclohexanecarboxylic acid CAS Name: 1-[(3-methylphenyl)methyl]-4-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)methyl]-4-oxocyclohexane-1-carboxylic acid Traditional Name: 4-keto-1-(3-methylbenzyl)cyclohexanecarboxylic acid Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2(CCC(=O)CC2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC2(CCC(=O)CC2)C(=O)O

InChI

InChI=1S/C15H18O3/c1-11-3-2-4-12(9-11)10-15(14(17)18)7-5-13(16)6-8-15/h2-4,9H,5-8,10H2,1H3,(H,17,18)