[3-(2-hexyldecanoyloxy)-2,2-bis(2-hexyldecanoyloxymethyl)propyl] 2-hexyldecanoate

Systemtic Name: [3-(2-hexyldecanoyloxy)-2,2-bis(2-hexyldecanoyloxymethyl)propyl] 2-hexyldecanoate Openeye Name: [3-(2-hexyldecanoyloxy)-2,2-bis(2-hexyldecanoyloxymethyl)propyl] 2-hexyldecanoate CAS Name: 2-hexyldecanoic acid [3-(2-hexyl-1-oxodecoxy)-2,2-bis[(2-hexyl-1-oxodecoxy)methyl]propyl] ester IUPAC Name: [3-(2-hexyldecanoyloxy)-2,2-bis(2-hexyldecanoyloxymethyl)propyl] 2-hexyldecanoate Traditional Name: 2-hexylcapric acid [3-(2-hexyldecanoyloxy)-2,2-bis(2-hexyldecanoyloxymethyl)propyl] ester Formula: C69H132O8 MolecularWeight: 1089.78158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCC)(COC(=O)C(CCCCCC)CCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(CCCCCC)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCC)(COC(=O)C(CCCCCC)CCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC

InChI

InChI=1S/C69H132O8/c1-9-17-25-33-37-45-53-61(49-41-29-21-13-5)65(70)74-57-69(58-75-66(71)62(50-42-30-22-14-6)54-46-38-34-26-18-10-2,59-76-67(72)63(51-43-31-23-15-7)55-47-39-35-27-19-11-3)60-77-68(73)64(52-44-32-24-16-8)56-48-40-36-28-20-12-4/h61-64H,9-60H2,1-8H3