2,4-bis[2-[2,3-di(hexadecanoyloxy)propoxy]-2-oxidanylidene-ethyl]pentanedioic acid

Systemtic Name: 2,4-bis[2-[2,3-di(hexadecanoyloxy)propoxy]-2-oxidanylidene-ethyl]pentanedioic acid Openeye Name: 2,4-bis[2-[2,3-di(hexadecanoyloxy)propoxy]-2-oxo-ethyl]pentanedioic acid CAS Name: 2,4-bis[2-[2,3-bis(1-oxohexadecoxy)propoxy]-2-oxoethyl]pentanedioic acid IUPAC Name: 2,4-bis[2-[2,3-di(hexadecanoyloxy)propoxy]-2-oxoethyl]pentanedioic acid Traditional Name: 2,4-bis[2-[2,3-di(hexadecanoyloxy)propoxy]-2-keto-ethyl]glutaric acid Formula: C79H144O16 MolecularWeight: 1349.97906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC(CC(CC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC(CC(CC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C79H144O16/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-72(80)90-64-70(94-74(82)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)66-92-76(84)62-68(78(86)87)61-69(79(88)89)63-77(85)93-67-71(95-75(83)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)65-91-73(81)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h68-71H,5-67H2,1-4H3,(H,86,87)(H,88,89)