(4S)-4-[(1S,4S)-4-bromanyl-3,3-dimethyl-cyclohexyl]-4-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: (4S)-4-[(1S,4S)-4-bromanyl-3,3-dimethyl-cyclohexyl]-4-oxidanyl-cyclohex-2-en-1-one Openeye Name: (4S)-4-[(1S,4S)-4-bromo-3,3-dimethyl-cyclohexyl]-4-hydroxy-cyclohex-2-en-1-one CAS Name: (4S)-4-[(1S,4S)-4-bromo-3,3-dimethylcyclohexyl]-4-hydroxy-1-cyclohex-2-enone IUPAC Name: (4S)-4-[(1S,4S)-4-bromo-3,3-dimethylcyclohexyl]-4-hydroxycyclohex-2-en-1-one Traditional Name: (4S)-4-[(1S,4S)-4-bromo-3,3-dimethyl-cyclohexyl]-4-hydroxy-cyclohex-2-en-1-one Formula: C14H21BrO2 MolecularWeight: 301.21934

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCC1Br)C2(CCC(=O)C=C2)O)C

Isomeric SMILES

CC1(C[C@H](CC[C@@H]1Br)[C@]2(CCC(=O)C=C2)O)C

InChI

InChI=1S/C14H21BrO2/c1-13(2)9-10(3-4-12(13)15)14(17)7-5-11(16)6-8-14/h5,7,10,12,17H,3-4,6,8-9H2,1-2H3/t10-,12-,14-/m0/s1