1-butyl-4-[4-[2-(4-ethoxyphenyl)ethynyl]cyclohexyl]benzene; ethyne

Systemtic Name: 1-butyl-4-[4-[2-(4-ethoxyphenyl)ethynyl]cyclohexyl]benzene; ethyne Openeye Name: acetylene; 1-butyl-4-[4-[2-(4-ethoxyphenyl)ethynyl]cyclohexyl]benzene CAS Name: acetylene; 1-butyl-4-[4-[2-(4-ethoxyphenyl)ethynyl]cyclohexyl]benzene IUPAC Name: acetylene; 1-butyl-4-[4-[2-(4-ethoxyphenyl)ethynyl]cyclohexyl]benzene Traditional Name: acetylene; 1-butyl-4-[4-(2-p-phenetylethynyl)cyclohexyl]benzene Formula: C28H34O MolecularWeight: 386.56896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)OCC.C#C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)OCC.C#C

InChI

InChI=1S/C26H32O.C2H2/c1-3-5-6-21-9-15-24(16-10-21)25-17-11-22(12-18-25)7-8-23-13-19-26(20-14-23)27-4-2;1-2/h9-10,13-16,19-20,22,25H,3-6,11-12,17-18H2,1-2H3;1-2H