[4-[(1S,4S)-4-bromanyl-3,3-dimethyl-cyclohexyl]phenyl]methyl ethanoate

Systemtic Name: [4-[(1S,4S)-4-bromanyl-3,3-dimethyl-cyclohexyl]phenyl]methyl ethanoate Openeye Name: [4-[(1S,4S)-4-bromo-3,3-dimethyl-cyclohexyl]phenyl]methyl acetate CAS Name: acetic acid [4-[(1S,4S)-4-bromo-3,3-dimethylcyclohexyl]phenyl]methyl ester IUPAC Name: [4-[(1S,4S)-4-bromo-3,3-dimethylcyclohexyl]phenyl]methyl acetate Traditional Name: acetic acid [4-[(1S,4S)-4-bromo-3,3-dimethyl-cyclohexyl]benzyl] ester Formula: C17H23BrO2 MolecularWeight: 339.26732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(C=C1)C2CCC(C(C2)(C)C)Br

Isomeric SMILES

CC(=O)OCC1=CC=C(C=C1)[C@H]2CC[C@@H](C(C2)(C)C)Br

InChI

InChI=1S/C17H23BrO2/c1-12(19)20-11-13-4-6-14(7-5-13)15-8-9-16(18)17(2,3)10-15/h4-7,15-16H,8-11H2,1-3H3/t15-,16-/m0/s1