(2S,3R)-2-[(4-bromanyl-5-methoxy-2-oxidanyl-phenyl)methyl]-3-methyl-cyclohexan-1-one

Systemtic Name: (2S,3R)-2-[(4-bromanyl-5-methoxy-2-oxidanyl-phenyl)methyl]-3-methyl-cyclohexan-1-one Openeye Name: (2S,3R)-2-[(4-bromo-2-hydroxy-5-methoxy-phenyl)methyl]-3-methyl-cyclohexanone CAS Name: (2S,3R)-2-[(4-bromo-2-hydroxy-5-methoxyphenyl)methyl]-3-methyl-1-cyclohexanone IUPAC Name: (2S,3R)-2-[(4-bromo-2-hydroxy-5-methoxyphenyl)methyl]-3-methylcyclohexan-1-one Traditional Name: (2S,3R)-2-(4-bromo-2-hydroxy-5-methoxy-benzyl)-3-methyl-cyclohexanone Formula: C15H19BrO3 MolecularWeight: 327.21356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)C1CC2=CC(=C(C=C2O)Br)OC

Isomeric SMILES

C[C@@H]1CCCC(=O)[C@H]1CC2=CC(=C(C=C2O)Br)OC

InChI

InChI=1S/C15H19BrO3/c1-9-4-3-5-13(17)11(9)6-10-7-15(19-2)12(16)8-14(10)18/h7-9,11,18H,3-6H2,1-2H3/t9-,11+/m1/s1