2-fluoranyl-4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]benzonitrile CAS Name: 2-fluoro-4-[2-[4-(4-hexylphenyl)-1-cyclohexenyl]ethynyl]benzonitrile IUPAC Name: 2-fluoro-4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]benzonitrile Traditional Name: 2-fluoro-4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]benzonitrile Formula: C27H28FN MolecularWeight: 385.516323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C27H28FN/c1-2-3-4-5-6-21-9-14-24(15-10-21)25-16-11-22(12-17-25)7-8-23-13-18-26(20-29)27(28)19-23/h9-11,13-15,18-19,25H,2-6,12,16-17H2,1H3