[4-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]phenyl] 7-cyclopentylheptanoate

Systemtic Name: [4-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]phenyl] 7-cyclopentylheptanoate Openeye Name: [4-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]phenyl] 7-cyclopentylheptanoate CAS Name: 7-cyclopentylheptanoic acid [4-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]phenyl] 7-cyclopentylheptanoate Traditional Name: 7-cyclopentylenanthic acid [4-[2-[4-(4-heptylcyclohexyl)phenyl]ethynyl]phenyl] ester Formula: C39H54O2 MolecularWeight: 554.84486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC(=O)CCCCCCC4CCCC4

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC(=O)CCCCCCC4CCCC4

InChI

InChI=1S/C39H54O2/c1-2-3-4-5-8-14-33-20-26-36(27-21-33)37-28-22-34(23-29-37)18-19-35-24-30-38(31-25-35)41-39(40)17-10-7-6-9-13-32-15-11-12-16-32/h22-25,28-33,36H,2-17,20-21,26-27H2,1H3