1-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]-4-(4-propoxyphenyl)benzene

Systemtic Name: 1-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]-4-(4-propoxyphenyl)benzene Openeye Name: 1-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]-4-(4-propoxyphenyl)benzene CAS Name: 1-[2-[4-(4-butylcyclohexyl)-1-cyclohexenyl]ethynyl]-4-(4-propoxyphenyl)benzene IUPAC Name: 1-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]-4-(4-propoxyphenyl)benzene Traditional Name: 1-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]-4-(4-propoxyphenyl)benzene Formula: C33H42O MolecularWeight: 454.68598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC=C(C=C4)OCCC

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC=C(C=C4)OCCC

InChI

InChI=1S/C33H42O/c1-3-5-6-26-9-15-29(16-10-26)30-17-11-27(12-18-30)7-8-28-13-19-31(20-14-28)32-21-23-33(24-22-32)34-25-4-2/h11,13-14,19-24,26,29-30H,3-6,9-10,12,15-18,25H2,1-2H3