[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2,5-dimethylcyclohexane-1-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2,5-dimethylcyclohexane-1-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2,5-dimethylcyclohexanecarboxylate CAS Name: 2,5-dimethyl-1-cyclohexanecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2,5-dimethylcyclohexane-1-carboxylate Traditional Name: 2,5-dimethylcyclohexanecarboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H21BrO3 MolecularWeight: 353.25084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1CCC(C(C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C17H21BrO3/c1-11-3-4-12(2)15(9-11)17(20)21-10-16(19)13-5-7-14(18)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3