2-fluoranyl-1-(4-methylcyclohexyl)-4-[2-(4-oct-4-ynylphenyl)ethynyl]benzene

Systemtic Name: 2-fluoranyl-1-(4-methylcyclohexyl)-4-[2-(4-oct-4-ynylphenyl)ethynyl]benzene Openeye Name: 2-fluoro-1-(4-methylcyclohexyl)-4-[2-(4-oct-4-ynylphenyl)ethynyl]benzene CAS Name: 2-fluoro-1-(4-methylcyclohexyl)-4-[2-(4-oct-4-ynylphenyl)ethynyl]benzene IUPAC Name: 2-fluoro-1-(4-methylcyclohexyl)-4-[2-(4-oct-4-ynylphenyl)ethynyl]benzene Traditional Name: 2-fluoro-1-(4-methylcyclohexyl)-4-[2-(4-oct-4-ynylphenyl)ethynyl]benzene Formula: C29H33F MolecularWeight: 400.570723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCCC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C3CCC(CC3)C)F

Isomeric SMILES

CCCC#CCCCC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C3CCC(CC3)C)F

InChI

InChI=1S/C29H33F/c1-3-4-5-6-7-8-9-24-12-14-25(15-13-24)16-17-26-18-21-28(29(30)22-26)27-19-10-23(2)11-20-27/h12-15,18,21-23,27H,3-4,7-11,19-20H2,1-2H3