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

Systemtic Name: 2-fluoranyl-4-[2-[4-(4-octylphenyl)cyclohexyl]ethynyl]-1-pentyl-benzene Openeye Name: 2-fluoro-4-[2-[4-(4-octylphenyl)cyclohexyl]ethynyl]-1-pentyl-benzene CAS Name: 2-fluoro-4-[2-[4-(4-octylphenyl)cyclohexyl]ethynyl]-1-pentylbenzene IUPAC Name: 2-fluoro-4-[2-[4-(4-octylphenyl)cyclohexyl]ethynyl]-1-pentylbenzene Traditional Name: 1-amyl-2-fluoro-4-[2-[4-(4-octylphenyl)cyclohexyl]ethynyl]benzene Formula: C33H45F MolecularWeight: 460.708803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC(=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC(=C(C=C3)CCCCC)F

InChI

InChI=1S/C33H45F/c1-3-5-7-8-9-11-12-27-16-21-30(22-17-27)31-23-18-28(19-24-31)14-15-29-20-25-32(33(34)26-29)13-10-6-4-2/h16-17,20-22,25-26,28,31H,3-13,18-19,23-24H2,1-2H3