[2-(2-bromophenyl)-4,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate

Systemtic Name: [2-(2-bromophenyl)-4,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate Openeye Name: [2-(2-bromophenyl)-4,5-dimethyl-3-oxo-cyclohexen-1-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2-bromophenyl)-4,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-bromophenyl)-4,5-dimethyl-3-oxocyclohexen-1-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(2-bromophenyl)-3-keto-4,5-dimethyl-cyclohexen-1-yl] ester Formula: C22H29BrO3 MolecularWeight: 421.36786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=O)C(C(C1)C)C)C2=CC=CC=C2Br

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C(C(=O)C(C(C1)C)C)C2=CC=CC=C2Br

InChI

InChI=1S/C22H29BrO3/c1-5-7-10-16(6-2)22(25)26-19-13-14(3)15(4)21(24)20(19)17-11-8-9-12-18(17)23/h8-9,11-12,14-16H,5-7,10,13H2,1-4H3