(E)-3-(4-chlorophenyl)-1-[3,5-dimethoxy-1,2-bis(oxidanyl)-2-phenyl-cyclohexyl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-chlorophenyl)-1-[3,5-dimethoxy-1,2-bis(oxidanyl)-2-phenyl-cyclohexyl]prop-2-en-1-one Openeye Name: (E)-3-(4-chlorophenyl)-1-(1,2-dihydroxy-3,5-dimethoxy-2-phenyl-cyclohexyl)prop-2-en-1-one CAS Name: (E)-3-(4-chlorophenyl)-1-(1,2-dihydroxy-3,5-dimethoxy-2-phenylcyclohexyl)-2-propen-1-one IUPAC Name: (E)-3-(4-chlorophenyl)-1-(1,2-dihydroxy-3,5-dimethoxy-2-phenylcyclohexyl)prop-2-en-1-one Traditional Name: (E)-3-(4-chlorophenyl)-1-(1,2-dihydroxy-3,5-dimethoxy-2-phenyl-cyclohexyl)prop-2-en-1-one Formula: C23H25ClO5 MolecularWeight: 416.8946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClO5/c1-28-19-14-21(29-2)23(27,17-6-4-3-5-7-17)22(26,15-19)20(25)13-10-16-8-11-18(24)12-9-16/h3-13,19,21,26-27H,14-15H2,1-2H3/b13-10+