2-fluoranyl-4-[4-[4-[(E)-8-fluoranyloct-7-enyl]cyclohexyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-[4-[4-[(E)-8-fluoranyloct-7-enyl]cyclohexyl]phenyl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]phenyl]benzonitrile CAS Name: 2-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]phenyl]benzonitrile IUPAC Name: 2-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]phenyl]benzonitrile Traditional Name: 2-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]phenyl]benzonitrile Formula: C27H31F2N MolecularWeight: 407.538546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCCCCCC=CF)C2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

C1CC(CCC1CCCCCC/C=C/F)C2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C27H31F2N/c28-18-6-4-2-1-3-5-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(20-30)27(29)19-25/h6,12-19,21-22H,1-5,7-11H2/b18-6+