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

Systemtic Name: 7-[2-[3,4-bis(fluoranyl)phenyl]ethynyl]-2-propyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Openeye Name: 7-[2-(3,4-difluorophenyl)ethynyl]-2-propyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene CAS Name: 7-[2-(3,4-difluorophenyl)ethynyl]-2-propyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene IUPAC Name: 7-[2-(3,4-difluorophenyl)ethynyl]-2-propyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Traditional Name: 7-[2-(3,4-difluorophenyl)ethynyl]-2-propyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Formula: C25H26F2 MolecularWeight: 364.470746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2C(C1)CCC3=C2C=CC(=C3)C#CC4=CC(=C(C=C4)F)F

Isomeric SMILES

CCCC1CCC2C(C1)CCC3=C2C=CC(=C3)C#CC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C25H26F2/c1-2-3-17-6-11-22-20(14-17)9-10-21-15-18(7-12-23(21)22)4-5-19-8-13-24(26)25(27)16-19/h7-8,12-13,15-17,20,22H,2-3,6,9-11,14H2,1H3