3-[(4-chlorophenyl)methyl]-1-ethyl-2-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1-ethyl-2-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methyl]-1-ethyl-2-oxo-cyclohexanecarboxylic acid CAS Name: 3-[(4-chlorophenyl)methyl]-1-ethyl-2-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methyl]-1-ethyl-2-oxocyclohexane-1-carboxylic acid Traditional Name: 3-(4-chlorobenzyl)-1-ethyl-2-keto-cyclohexanecarboxylic acid Formula: C16H19ClO3 MolecularWeight: 294.77326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC(C1=O)CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCC1(CCCC(C1=O)CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H19ClO3/c1-2-16(15(19)20)9-3-4-12(14(16)18)10-11-5-7-13(17)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,19,20)