2-[(2-bromanyl-4-methoxy-phenyl)methyl]-3,3-dimethyl-cyclohexan-1-one

Systemtic Name: 2-[(2-bromanyl-4-methoxy-phenyl)methyl]-3,3-dimethyl-cyclohexan-1-one Openeye Name: 2-[(2-bromo-4-methoxy-phenyl)methyl]-3,3-dimethyl-cyclohexanone CAS Name: 2-[(2-bromo-4-methoxyphenyl)methyl]-3,3-dimethyl-1-cyclohexanone IUPAC Name: 2-[(2-bromo-4-methoxyphenyl)methyl]-3,3-dimethylcyclohexan-1-one Traditional Name: 2-(2-bromo-4-methoxy-benzyl)-3,3-dimethyl-cyclohexanone Formula: C16H21BrO2 MolecularWeight: 325.24074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1CC2=C(C=C(C=C2)OC)Br)C

Isomeric SMILES

CC1(CCCC(=O)C1CC2=C(C=C(C=C2)OC)Br)C

InChI

InChI=1S/C16H21BrO2/c1-16(2)8-4-5-15(18)13(16)9-11-6-7-12(19-3)10-14(11)17/h6-7,10,13H,4-5,8-9H2,1-3H3