1,3-bis(fluoranyl)-2-(4-methylcyclohexyl)-5-[2-(4-oct-2-ynylphenyl)ethynyl]benzene

Systemtic Name: 1,3-bis(fluoranyl)-2-(4-methylcyclohexyl)-5-[2-(4-oct-2-ynylphenyl)ethynyl]benzene Openeye Name: 1,3-difluoro-2-(4-methylcyclohexyl)-5-[2-(4-oct-2-ynylphenyl)ethynyl]benzene CAS Name: 1,3-difluoro-2-(4-methylcyclohexyl)-5-[2-(4-oct-2-ynylphenyl)ethynyl]benzene IUPAC Name: 1,3-difluoro-2-(4-methylcyclohexyl)-5-[2-(4-oct-2-ynylphenyl)ethynyl]benzene Traditional Name: 1,3-difluoro-2-(4-methylcyclohexyl)-5-[2-(4-oct-2-ynylphenyl)ethynyl]benzene Formula: C29H32F2 MolecularWeight: 418.561186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC1=CC=C(C=C1)C#CC2=CC(=C(C(=C2)F)C3CCC(CC3)C)F

Isomeric SMILES

CCCCCC#CCC1=CC=C(C=C1)C#CC2=CC(=C(C(=C2)F)C3CCC(CC3)C)F

InChI

InChI=1S/C29H32F2/c1-3-4-5-6-7-8-9-23-12-14-24(15-13-23)16-17-25-20-27(30)29(28(31)21-25)26-18-10-22(2)11-19-26/h12-15,20-22,26H,3-6,9-11,18-19H2,1-2H3