2-[(4-bromanyl-5-methoxy-2-oxidanyl-phenyl)methyl]-3,5,5-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(4-bromanyl-5-methoxy-2-oxidanyl-phenyl)methyl]-3,5,5-trimethyl-cyclohex-2-en-1-one Openeye Name: 2-[(4-bromo-2-hydroxy-5-methoxy-phenyl)methyl]-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: 2-[(4-bromo-2-hydroxy-5-methoxyphenyl)methyl]-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 2-[(4-bromo-2-hydroxy-5-methoxyphenyl)methyl]-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 2-(4-bromo-2-hydroxy-5-methoxy-benzyl)-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C17H21BrO3 MolecularWeight: 353.25084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC(C1)(C)C)CC2=CC(=C(C=C2O)Br)OC

Isomeric SMILES

CC1=C(C(=O)CC(C1)(C)C)CC2=CC(=C(C=C2O)Br)OC

InChI

InChI=1S/C17H21BrO3/c1-10-8-17(2,3)9-15(20)12(10)5-11-6-16(21-4)13(18)7-14(11)19/h6-7,19H,5,8-9H2,1-4H3