[2-ethynyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-octoxybenzoate

Systemtic Name: [2-ethynyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-octoxybenzoate Openeye Name: [2-ethynyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [2-ethynyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] ester IUPAC Name: [2-ethynyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[2-(4-amylcyclohexyl)ethyl]-2-ethynyl-phenyl] ester Formula: C36H50O3 MolecularWeight: 530.7804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCC3CCC(CC3)CCCCC)C#C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCC3CCC(CC3)CCCCC)C#C

InChI

InChI=1S/C36H50O3/c1-4-7-9-10-11-13-27-38-34-24-22-33(23-25-34)36(37)39-35-26-21-31(28-32(35)6-3)20-19-30-17-15-29(16-18-30)14-12-8-5-2/h3,21-26,28-30H,4-5,7-20,27H2,1-2H3