2-(4-heptylphenyl)carbonylcyclohexane-1-carboxylic acid

Systemtic Name: 2-(4-heptylphenyl)carbonylcyclohexane-1-carboxylic acid Openeye Name: 2-(4-heptylbenzoyl)cyclohexanecarboxylic acid CAS Name: 2-[(4-heptylphenyl)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-(4-heptylbenzoyl)cyclohexane-1-carboxylic acid Traditional Name: 2-(4-heptylbenzoyl)cyclohexanecarboxylic acid Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)C2CCCCC2C(=O)O

InChI

InChI=1S/C21H30O3/c1-2-3-4-5-6-9-16-12-14-17(15-13-16)20(22)18-10-7-8-11-19(18)21(23)24/h12-15,18-19H,2-11H2,1H3,(H,23,24)