trioctadecyl 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylate

Systemtic Name: trioctadecyl 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylate Openeye Name: trioctadecyl 2-hydroxy-4-oxo-pentane-1,2,3-tricarboxylate CAS Name: 2-hydroxy-4-oxopentane-1,2,3-tricarboxylic acid trioctadecyl ester IUPAC Name: trioctadecyl 2-hydroxy-4-oxopentane-1,2,3-tricarboxylate Traditional Name: 2-hydroxy-4-keto-pentane-1,2,3-tricarboxylic acid tristearyl ester Formula: C62H118O8 MolecularWeight: 991.59552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(C(=O)C)C(=O)OCCCCCCCCCCCCCCCCCC)(C(=O)OCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(C(=O)C)C(=O)OCCCCCCCCCCCCCCCCCC)(C(=O)OCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C62H118O8/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-68-58(64)56-62(67,61(66)70-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)59(57(4)63)60(65)69-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h59,67H,5-56H2,1-4H3