6-[(4-bromanyl-5-methoxy-2-oxidanyl-phenyl)methyl]-4-(2-hydroxyethyl)-3,5,5-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 6-[(4-bromanyl-5-methoxy-2-oxidanyl-phenyl)methyl]-4-(2-hydroxyethyl)-3,5,5-trimethyl-cyclohex-2-en-1-one Openeye Name: 6-[(4-bromo-2-hydroxy-5-methoxy-phenyl)methyl]-4-(2-hydroxyethyl)-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: 6-[(4-bromo-2-hydroxy-5-methoxyphenyl)methyl]-4-(2-hydroxyethyl)-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 6-[(4-bromo-2-hydroxy-5-methoxyphenyl)methyl]-4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 6-(4-bromo-2-hydroxy-5-methoxy-benzyl)-4-(2-hydroxyethyl)-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C19H25BrO4 MolecularWeight: 397.3034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(C1CCO)(C)C)CC2=CC(=C(C=C2O)Br)OC

Isomeric SMILES

CC1=CC(=O)C(C(C1CCO)(C)C)CC2=CC(=C(C=C2O)Br)OC

InChI

InChI=1S/C19H25BrO4/c1-11-7-17(23)14(19(2,3)13(11)5-6-21)8-12-9-18(24-4)15(20)10-16(12)22/h7,9-10,13-14,21-22H,5-6,8H2,1-4H3