3-[3-(4-bromophenyl)-1-oxidanyl-cyclobutyl]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[3-(4-bromophenyl)-1-oxidanyl-cyclobutyl]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[3-(4-bromophenyl)-1-hydroxy-cyclobutyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[3-(4-bromophenyl)-1-hydroxycyclobutyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[3-(4-bromophenyl)-1-hydroxycyclobutyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[3-(4-bromophenyl)-1-hydroxy-cyclobutyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C18H21BrO2 MolecularWeight: 349.26214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)C2(CC(C2)C3=CC=C(C=C3)Br)O)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)C2(CC(C2)C3=CC=C(C=C3)Br)O)C

InChI

InChI=1S/C18H21BrO2/c1-17(2)10-14(7-16(20)11-17)18(21)8-13(9-18)12-3-5-15(19)6-4-12/h3-7,13,21H,8-11H2,1-2H3