2,8-bis[(2-chloranyl-6-fluoranyl-phenyl)methyl]cyclooctan-1-one

Systemtic Name: 2,8-bis[(2-chloranyl-6-fluoranyl-phenyl)methyl]cyclooctan-1-one Openeye Name: 2,8-bis[(2-chloro-6-fluoro-phenyl)methyl]cyclooctanone CAS Name: 2,8-bis[(2-chloro-6-fluorophenyl)methyl]-1-cyclooctanone IUPAC Name: 2,8-bis[(2-chloro-6-fluorophenyl)methyl]cyclooctan-1-one Traditional Name: 2,8-bis(2-chloro-6-fluoro-benzyl)cyclooctanone Formula: C22H22Cl2F2O MolecularWeight: 411.312286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(CC1)CC2=C(C=CC=C2Cl)F)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCC(C(=O)C(CC1)CC2=C(C=CC=C2Cl)F)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H22Cl2F2O/c23-18-8-4-10-20(25)16(18)12-14-6-2-1-3-7-15(22(14)27)13-17-19(24)9-5-11-21(17)26/h4-5,8-11,14-15H,1-3,6-7,12-13H2