2-fluoranyl-1,4-bis[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene

Systemtic Name: 2-fluoranyl-1,4-bis[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene Openeye Name: 2-fluoro-1,4-bis[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene CAS Name: 2-fluoro-1,4-bis[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene IUPAC Name: 2-fluoro-1,4-bis[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene Traditional Name: 1,4-bis[2-[1-amyl-4-(4-amylcyclohexyl)cyclohexyl]ethynyl]-2-fluoro-benzene Formula: C54H85F MolecularWeight: 753.251103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)(CCCCC)C#CC3=CC(=C(C=C3)C#CC4(CCC(CC4)C5CCC(CC5)CCCCC)CCCCC)F

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)(CCCCC)C#CC3=CC(=C(C=C3)C#CC4(CCC(CC4)C5CCC(CC5)CCCCC)CCCCC)F

InChI

InChI=1S/C54H85F/c1-5-9-13-17-44-19-24-47(25-20-44)49-30-38-53(39-31-49,35-15-11-7-3)37-29-46-23-28-51(52(55)43-46)34-42-54(36-16-12-8-4)40-32-50(33-41-54)48-26-21-45(22-27-48)18-14-10-6-2/h23,28,43-45,47-50H,5-22,24-27,30-33,35-36,38-41H2,1-4H3