2,2-bis(3-octyltridecanoyloxymethyl)butyl 3-octyltridecanoate

Systemtic Name: 2,2-bis(3-octyltridecanoyloxymethyl)butyl 3-octyltridecanoate Openeye Name: 2,2-bis(3-octyltridecanoyloxymethyl)butyl 3-octyltridecanoate CAS Name: 3-octyltridecanoic acid 2,2-bis[(3-octyl-1-oxotridecoxy)methyl]butyl ester IUPAC Name: 2,2-bis(3-octyltridecanoyloxymethyl)butyl 3-octyltridecanoate Traditional Name: 3-octyltridecanoic acid 2,2-bis(3-octyltridecanoyloxymethyl)butyl ester Formula: C69H134O6 MolecularWeight: 1059.79866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CC(=O)OCC(CC)(COC(=O)CC(CCCCCCCC)CCCCCCCCCC)COC(=O)CC(CCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CC(=O)OCC(CC)(COC(=O)CC(CCCCCCCC)CCCCCCCCCC)COC(=O)CC(CCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C69H134O6/c1-8-15-21-27-33-36-42-48-54-63(51-45-39-30-24-18-11-4)57-66(70)73-60-69(14-7,61-74-67(71)58-64(52-46-40-31-25-19-12-5)55-49-43-37-34-28-22-16-9-2)62-75-68(72)59-65(53-47-41-32-26-20-13-6)56-50-44-38-35-29-23-17-10-3/h63-65H,8-62H2,1-7H3