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

Systemtic Name: 2-butyl-7-[2-(4-chloranyl-3-fluoranyl-phenyl)ethynyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Openeye Name: 2-butyl-7-[2-(4-chloro-3-fluoro-phenyl)ethynyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene CAS Name: 2-butyl-7-[2-(4-chloro-3-fluorophenyl)ethynyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene IUPAC Name: 2-butyl-7-[2-(4-chloro-3-fluorophenyl)ethynyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Traditional Name: 2-butyl-7-[2-(4-chloro-3-fluoro-phenyl)ethynyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene Formula: C26H28ClF MolecularWeight: 394.951923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC2C(C1)CCC3=C2C=CC(=C3)C#CC4=CC(=C(C=C4)Cl)F

Isomeric SMILES

CCCCC1CCC2C(C1)CCC3=C2C=CC(=C3)C#CC4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C26H28ClF/c1-2-3-4-18-7-12-23-21(15-18)10-11-22-16-19(8-13-24(22)23)5-6-20-9-14-25(27)26(28)17-20/h8-9,13-14,16-18,21,23H,2-4,7,10-12,15H2,1H3