methyl (E)-7-[2,4-bis(chloranyl)-6-cycloheptyl-phenyl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: methyl (E)-7-[2,4-bis(chloranyl)-6-cycloheptyl-phenyl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: methyl (E)-7-(2,4-dichloro-6-cycloheptyl-phenyl)-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-(2,4-dichloro-6-cycloheptylphenyl)-5-hydroxy-3-oxo-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-(2,4-dichloro-6-cycloheptylphenyl)-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-(2,4-dichloro-6-cycloheptyl-phenyl)-5-hydroxy-3-keto-hept-6-enoic acid methyl ester Formula: C21H26Cl2O4 MolecularWeight: 413.33474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CC(C=CC1=C(C=C(C=C1C2CCCCCC2)Cl)Cl)O

Isomeric SMILES

COC(=O)CC(=O)CC(/C=C/C1=C(C=C(C=C1C2CCCCCC2)Cl)Cl)O

InChI

InChI=1S/C21H26Cl2O4/c1-27-21(26)13-17(25)12-16(24)8-9-18-19(10-15(22)11-20(18)23)14-6-4-2-3-5-7-14/h8-11,14,16,24H,2-7,12-13H2,1H3/b9-8+