[4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl] 4-propylbenzoate

Systemtic Name: [4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl] 4-propylbenzoate Openeye Name: [4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl] ester Formula: C29H40O2 MolecularWeight: 420.6267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C=CC#CC2CCC(CC2)OC(=O)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCC1CCC(CC1)/C=C/C#CC2CCC(CC2)OC(=O)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C29H40O2/c1-3-7-23-11-13-25(14-12-23)9-5-6-10-26-17-21-28(22-18-26)31-29(30)27-19-15-24(8-4-2)16-20-27/h5,9,15-16,19-20,23,25-26,28H,3-4,7-8,11-14,17-18,21-22H2,1-2H3/b9-5+