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

Systemtic Name: O3-heptadeca-8,11-dienyl O2-heptadec-8-enyl O1-heptadecyl propane-1,2,3-tricarboxylate Openeye Name: O3-heptadeca-8,11-dienyl O2-heptadec-8-enyl O1-heptadecyl propane-1,2,3-tricarboxylate CAS Name: propane-1,2,3-tricarboxylic acid O3-heptadeca-8,11-dienyl ester O2-heptadec-8-enyl ester O1-heptadecyl ester IUPAC Name: 3-O-heptadeca-8,11-dienyl 2-O-heptadec-8-enyl 1-O-heptadecyl propane-1,2,3-tricarboxylate Traditional Name: propane-1,2,3-tricarboxylic acid O3-heptadeca-8,11-dienyl ester O2-heptadec-8-enyl ester O1-heptadecyl ester Formula: C57H104O6 MolecularWeight: 885.43206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H104O6/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/h16,19,25,27-28,30,54H,4-15,17-18,20-24,26,29,31-53H2,1-3H3