7-[2-[3,4-bis(fluoranyl)phenyl]ethynyl]-2-pentyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

Systemtic Name: 7-[2-[3,4-bis(fluoranyl)phenyl]ethynyl]-2-pentyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Openeye Name: 7-[2-(3,4-difluorophenyl)ethynyl]-2-pentyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene CAS Name: 7-[2-(3,4-difluorophenyl)ethynyl]-2-pentyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene IUPAC Name: 7-[2-(3,4-difluorophenyl)ethynyl]-2-pentyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Traditional Name: 2-amyl-7-[2-(3,4-difluorophenyl)ethynyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Formula: C27H30F2 MolecularWeight: 392.523906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC2C(C1)CCC3=C2C=CC(=C3)C#CC4=CC(=C(C=C4)F)F

Isomeric SMILES

CCCCCC1CCC2C(C1)CCC3=C2C=CC(=C3)C#CC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C27H30F2/c1-2-3-4-5-19-8-13-24-22(16-19)11-12-23-17-20(9-14-25(23)24)6-7-21-10-15-26(28)27(29)18-21/h9-10,14-15,17-19,22,24H,2-5,8,11-13,16H2,1H3