[4-[4-(4-decanoyloxyphenyl)buta-1,3-diynyl]phenyl] decanoate

Systemtic Name: [4-[4-(4-decanoyloxyphenyl)buta-1,3-diynyl]phenyl] decanoate Openeye Name: [4-[4-(4-decanoyloxyphenyl)buta-1,3-diynyl]phenyl] decanoate CAS Name: decanoic acid [4-[4-[4-(1-oxodecoxy)phenyl]buta-1,3-diynyl]phenyl] ester IUPAC Name: [4-[4-(4-decanoyloxyphenyl)buta-1,3-diynyl]phenyl] decanoate Traditional Name: capric acid [4-[4-(4-capryloxyphenyl)buta-1,3-diynyl]phenyl] ester Formula: C36H46O4 MolecularWeight: 542.74804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCCCCCCC

InChI

InChI=1S/C36H46O4/c1-3-5-7-9-11-13-15-21-35(37)39-33-27-23-31(24-28-33)19-17-18-20-32-25-29-34(30-26-32)40-36(38)22-16-14-12-10-8-6-4-2/h23-30H,3-16,21-22H2,1-2H3