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

Systemtic Name: 2-[(E)-but-1-enyl]-6,8-bis(fluoranyl)-1-[3-fluoranyl-4-(trifluoromethyloxy)phenyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Openeye Name: 2-[(E)-but-1-enyl]-6,8-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene CAS Name: 2-[(E)-but-1-enyl]-6,8-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene IUPAC Name: 2-[(E)-but-1-enyl]-6,8-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Traditional Name: 2-[(E)-but-1-enyl]-6,8-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Formula: C25H24F6O MolecularWeight: 454.447879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24F6O/c1-2-3-4-14-5-7-17-19(9-8-18-20(17)12-16(26)13-21(18)27)24(14)15-6-10-23(22(28)11-15)32-25(29,30)31/h3-4,6,10-14,17,19,24H,2,5,7-9H2,1H3/b4-3+