(2E,6S)-2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-6-methyl-cyclohexan-1-one

Systemtic Name: (2E,6S)-2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-6-methyl-cyclohexan-1-one Openeye Name: (2E,6S)-2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-6-methyl-cyclohexanone CAS Name: (2E,6S)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-methyl-1-cyclohexanone IUPAC Name: (2E,6S)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-methylcyclohexan-1-one Traditional Name: (2E,6S)-2-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-6-methyl-cyclohexanone Formula: C15H17BrO3 MolecularWeight: 325.19768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC(=C(C(=C2)Br)O)OC)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC(=C(C(=C2)Br)O)OC)/C1=O

InChI

InChI=1S/C15H17BrO3/c1-9-4-3-5-11(14(9)17)6-10-7-12(16)15(18)13(8-10)19-2/h6-9,18H,3-5H2,1-2H3/b11-6+/t9-/m0/s1