4,5-di(octadecanoyloxy)pentane-1,2,3-tricarboxylic acid

Systemtic Name: 4,5-di(octadecanoyloxy)pentane-1,2,3-tricarboxylic acid Openeye Name: 4,5-di(octadecanoyloxy)pentane-1,2,3-tricarboxylic acid CAS Name: 4,5-bis(1-oxooctadecoxy)pentane-1,2,3-tricarboxylic acid IUPAC Name: 4,5-di(octadecanoyloxy)pentane-1,2,3-tricarboxylic acid Traditional Name: 4,5-distearoyloxypentane-1,2,3-tricarboxylic acid Formula: C44H80O10 MolecularWeight: 769.1

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(CC(=O)O)C(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(CC(=O)O)C(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H80O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)53-36-38(42(44(51)52)37(43(49)50)35-39(45)46)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,42H,3-36H2,1-2H3,(H,45,46)(H,49,50)(H,51,52)