2,2-bis[1,3-di(octadecanoyloxy)propan-2-yl]butanedioic acid

Systemtic Name: 2,2-bis[1,3-di(octadecanoyloxy)propan-2-yl]butanedioic acid Openeye Name: 2,2-bis[2-octadecanoyloxy-1-(octadecanoyloxymethyl)ethyl]butanedioic acid CAS Name: 2,2-bis[1,3-bis(1-oxooctadecoxy)propan-2-yl]butanedioic acid IUPAC Name: 2,2-bis[1,3-di(octadecanoyloxy)propan-2-yl]butanedioic acid Traditional Name: 2,2-bis[2-stearoyloxy-1-(stearoyloxymethyl)ethyl]succinic acid Formula: C82H154O12 MolecularWeight: 1332.09296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C82H154O12/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-77(85)91-70-74(71-92-78(86)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82(81(89)90,69-76(83)84)75(72-93-79(87)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-94-80(88)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h74-75H,5-73H2,1-4H3,(H,83,84)(H,89,90)