1-(4-chloranyl-3-fluoranyl-phenyl)-6,8-bis(fluoranyl)-2-[(E)-prop-1-enyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

Systemtic Name: 1-(4-chloranyl-3-fluoranyl-phenyl)-6,8-bis(fluoranyl)-2-[(E)-prop-1-enyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Openeye Name: 1-(4-chloro-3-fluoro-phenyl)-6,8-difluoro-2-[(E)-prop-1-enyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene CAS Name: 1-(4-chloro-3-fluorophenyl)-6,8-difluoro-2-[(E)-prop-1-enyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene IUPAC Name: 1-(4-chloro-3-fluorophenyl)-6,8-difluoro-2-[(E)-prop-1-enyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Traditional Name: 1-(4-chloro-3-fluoro-phenyl)-6,8-difluoro-2-[(E)-prop-1-enyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Formula: C23H22ClF3 MolecularWeight: 390.86899

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1CCC2C(C1C3=CC(=C(C=C3)Cl)F)CCC4=C(C=C(C=C24)F)F

Isomeric SMILES

C/C=C/C1CCC2C(C1C3=CC(=C(C=C3)Cl)F)CCC4=C(C=C(C=C24)F)F

InChI

InChI=1S/C23H22ClF3/c1-2-3-13-4-6-16-18(23(13)14-5-9-20(24)22(27)10-14)8-7-17-19(16)11-15(25)12-21(17)26/h2-3,5,9-13,16,18,23H,4,6-8H2,1H3/b3-2+