1-butyl-4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethynyl]-2-fluoranyl-benzene

Systemtic Name: 1-butyl-4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethynyl]-2-fluoranyl-benzene Openeye Name: 1-butyl-4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethynyl]-2-fluoro-benzene CAS Name: 1-butyl-4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethynyl]-2-fluorobenzene IUPAC Name: 1-butyl-4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethynyl]-2-fluorobenzene Traditional Name: 1-butyl-4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethynyl]-2-fluoro-benzene Formula: C28H41F MolecularWeight: 396.623543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(CC2)C#CC3=CC(=C(C=C3)CCCC)F

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(CC2)C#CC3=CC(=C(C=C3)CCCC)F

InChI

InChI=1S/C28H41F/c1-3-5-7-22-11-16-25(17-12-22)26-18-13-23(14-19-26)9-10-24-15-20-27(8-6-4-2)28(29)21-24/h15,20-23,25-26H,3-8,11-14,16-19H2,1-2H3