1-[4-(4-butylphenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol

Systemtic Name: 1-[4-(4-butylphenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol Openeye Name: 1-[4-(4-butylphenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol CAS Name: 1-[4-(4-butylphenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]-3-butyn-2-ol IUPAC Name: 1-[4-(4-butylphenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol Traditional Name: 1-[4-(4-butylphenyl)cyclohexyl]-4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol Formula: C27H31F3O MolecularWeight: 428.52965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)CC(C#CC3=CC=C(C=C3)C(F)(F)F)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)CC(C#CC3=CC=C(C=C3)C(F)(F)F)O

InChI

InChI=1S/C27H31F3O/c1-2-3-4-20-5-12-23(13-6-20)24-14-7-22(8-15-24)19-26(31)18-11-21-9-16-25(17-10-21)27(28,29)30/h5-6,9-10,12-13,16-17,22,24,26,31H,2-4,7-8,14-15,19H2,1H3