2-fluoranyl-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-1-pentyl-benzene

Systemtic Name: 2-fluoranyl-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-1-pentyl-benzene Openeye Name: 2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-1-pentyl-benzene CAS Name: 2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-1-pentylbenzene IUPAC Name: 2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]-1-pentylbenzene Traditional Name: 1-amyl-2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethynyl]benzene Formula: C32H49F MolecularWeight: 452.729863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCC(CC2)C#CC3=CC(=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCC(CC2)C#CC3=CC(=C(C=C3)CCCCC)F

InChI

InChI=1S/C32H49F/c1-3-5-7-8-10-11-26-15-20-29(21-16-26)30-22-17-27(18-23-30)13-14-28-19-24-31(32(33)25-28)12-9-6-4-2/h19,24-27,29-30H,3-12,15-18,20-23H2,1-2H3