(E)-3-(3-bromophenyl)-1-[3,5-dimethoxy-1,2-bis(oxidanyl)-2-phenyl-cyclohexyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromophenyl)-1-[3,5-dimethoxy-1,2-bis(oxidanyl)-2-phenyl-cyclohexyl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromophenyl)-1-(1,2-dihydroxy-3,5-dimethoxy-2-phenyl-cyclohexyl)prop-2-en-1-one CAS Name: (E)-3-(3-bromophenyl)-1-(1,2-dihydroxy-3,5-dimethoxy-2-phenylcyclohexyl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromophenyl)-1-(1,2-dihydroxy-3,5-dimethoxy-2-phenylcyclohexyl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromophenyl)-1-(1,2-dihydroxy-3,5-dimethoxy-2-phenyl-cyclohexyl)prop-2-en-1-one Formula: C23H25BrO5 MolecularWeight: 461.3456

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C(C(C1)(C(=O)C=CC2=CC(=CC=C2)Br)O)(C3=CC=CC=C3)O)OC

Isomeric SMILES

COC1CC(C(C(C1)(C(=O)/C=C/C2=CC(=CC=C2)Br)O)(C3=CC=CC=C3)O)OC

InChI

InChI=1S/C23H25BrO5/c1-28-19-14-21(29-2)23(27,17-8-4-3-5-9-17)22(26,15-19)20(25)12-11-16-7-6-10-18(24)13-16/h3-13,19,21,26-27H,14-15H2,1-2H3/b12-11+