1-hexyl-4-[4-[2-(4-pentylphenyl)ethynyl]cyclohex-3-en-1-yl]benzene

Systemtic Name: 1-hexyl-4-[4-[2-(4-pentylphenyl)ethynyl]cyclohex-3-en-1-yl]benzene Openeye Name: 1-hexyl-4-[4-[2-(4-pentylphenyl)ethynyl]cyclohex-3-en-1-yl]benzene CAS Name: 1-hexyl-4-[4-[2-(4-pentylphenyl)ethynyl]-1-cyclohex-3-enyl]benzene IUPAC Name: 1-hexyl-4-[4-[2-(4-pentylphenyl)ethynyl]cyclohex-3-en-1-yl]benzene Traditional Name: 1-amyl-4-[2-[4-(4-hexylphenyl)cyclohexen-1-yl]ethynyl]benzene Formula: C31H40 MolecularWeight: 412.6493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C31H40/c1-3-5-7-9-11-27-18-22-30(23-19-27)31-24-20-29(21-25-31)17-16-28-14-12-26(13-15-28)10-8-6-4-2/h12-15,18-20,22-23,31H,3-11,21,24-25H2,1-2H3