[3-hexadecanoyloxy-2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]propyl] hexadecanoate

Systemtic Name: [3-hexadecanoyloxy-2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]propyl] hexadecanoate Openeye Name: [3-hexadecanoyloxy-2-[2-(4-isobutylphenyl)propanoyloxy]propyl] hexadecanoate CAS Name: hexadecanoic acid [2-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-hexadecanoyloxy-2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]propyl] hexadecanoate Traditional Name: palmitic acid [3-hexadecanoyloxy-2-[2-(4-isobutylphenyl)propanoyloxy]propyl] ester Formula: C48H84O6 MolecularWeight: 757.17696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)C1=CC=C(C=C1)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)C1=CC=C(C=C1)CC(C)C

InChI

InChI=1S/C48H84O6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-46(49)52-39-45(54-48(51)42(5)44-36-34-43(35-37-44)38-41(3)4)40-53-47(50)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34-37,41-42,45H,6-33,38-40H2,1-5H3