O2,O3-bis(heptadeca-8,11-dienyl) O1-heptadec-8-enyl propane-1,2,3-tricarboxylate

Systemtic Name: O2,O3-bis(heptadeca-8,11-dienyl) O1-heptadec-8-enyl propane-1,2,3-tricarboxylate Openeye Name: O2,O3-bis(heptadeca-8,11-dienyl) O1-heptadec-8-enyl propane-1,2,3-tricarboxylate CAS Name: propane-1,2,3-tricarboxylic acid O2,O3-bis(heptadeca-8,11-dienyl) ester O1-heptadec-8-enyl ester IUPAC Name: 2-O,3-O-bis(heptadeca-8,11-dienyl) 1-O-heptadec-8-enyl propane-1,2,3-tricarboxylate Traditional Name: propane-1,2,3-tricarboxylic acid O2,O3-bis(heptadeca-8,11-dienyl) ester O1-heptadec-8-enyl ester Formula: C57H100O6 MolecularWeight: 881.4003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC=CCC=CCCCCC)C(=O)OCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCC=CCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC=CCC=CCCCCC)C(=O)OCCCCCCCC=CCC=CCCCCC

InChI

InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-61-55(58)52-54(57(60)63-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-56(59)62-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,54H,4-15,17,20,22-24,31-53H2,1-3H3