[3-methyl-4-(2-methylhenicosanoyloxy)butyl] 2-methylhenicosanoate

Systemtic Name: [3-methyl-4-(2-methylhenicosanoyloxy)butyl] 2-methylhenicosanoate Openeye Name: [3-methyl-4-(2-methylhenicosanoyloxy)butyl] 2-methylhenicosanoate CAS Name: 2-methylheneicosanoic acid [3-methyl-4-(2-methyl-1-oxoheneicosoxy)butyl] ester IUPAC Name: [3-methyl-4-(2-methylhenicosanoyloxy)butyl] 2-methylhenicosanoate Traditional Name: 2-methylheneicosanoic acid [3-methyl-4-(2-methylheneicosanoyloxy)butyl] ester Formula: C49H96O4 MolecularWeight: 749.28414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C)C(=O)OCCC(C)COC(=O)C(C)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C)C(=O)OCCC(C)COC(=O)C(C)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H96O4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-46(4)48(50)52-43-42-45(3)44-53-49(51)47(5)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h45-47H,6-44H2,1-5H3