2-[(E)-but-1-enyl]-1-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-6,8-bis(fluoranyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

Systemtic Name: 2-[(E)-but-1-enyl]-1-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-6,8-bis(fluoranyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Openeye Name: 2-[(E)-but-1-enyl]-1-(4-chloro-3,5-difluoro-phenyl)-6,8-difluoro-1,2,3,4,4a,9,10,10a-octahydrophenanthrene CAS Name: 2-[(E)-but-1-enyl]-1-(4-chloro-3,5-difluorophenyl)-6,8-difluoro-1,2,3,4,4a,9,10,10a-octahydrophenanthrene IUPAC Name: 2-[(E)-but-1-enyl]-1-(4-chloro-3,5-difluorophenyl)-6,8-difluoro-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Traditional Name: 2-[(E)-but-1-enyl]-1-(4-chloro-3,5-difluoro-phenyl)-6,8-difluoro-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Formula: C24H23ClF4 MolecularWeight: 422.886033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClF4/c1-2-3-4-13-5-6-16-18(8-7-17-19(16)11-15(26)12-20(17)27)23(13)14-9-21(28)24(25)22(29)10-14/h3-4,9-13,16,18,23H,2,5-8H2,1H3/b4-3+