[1-(3-bromanyl-5-methyl-phenyl)-4-oxidanylidene-cyclohexyl]methyl ethanoate

Systemtic Name: [1-(3-bromanyl-5-methyl-phenyl)-4-oxidanylidene-cyclohexyl]methyl ethanoate Openeye Name: [1-(3-bromo-5-methyl-phenyl)-4-oxo-cyclohexyl]methyl acetate CAS Name: acetic acid [1-(3-bromo-5-methylphenyl)-4-oxocyclohexyl]methyl ester IUPAC Name: [1-(3-bromo-5-methylphenyl)-4-oxocyclohexyl]methyl acetate Traditional Name: acetic acid [1-(3-bromo-5-methyl-phenyl)-4-keto-cyclohexyl]methyl ester Formula: C16H19BrO3 MolecularWeight: 339.22426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2(CCC(=O)CC2)COC(=O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1)C2(CCC(=O)CC2)COC(=O)C)Br

InChI

InChI=1S/C16H19BrO3/c1-11-7-13(9-14(17)8-11)16(10-20-12(2)18)5-3-15(19)4-6-16/h7-9H,3-6,10H2,1-2H3