2,3-bis(octadecanoylperoxy)propyl octadecanoate; (2-octadecanoylperoxy-3-oxidanyl-propyl) octadecanoate; propane-1,2-diol

Systemtic Name: 2,3-bis(octadecanoylperoxy)propyl octadecanoate; (2-octadecanoylperoxy-3-oxidanyl-propyl) octadecanoate; propane-1,2-diol Openeye Name: 2,3-bis(octadecanoylperoxy)propyl octadecanoate; (3-hydroxy-2-octadecanoylperoxy-propyl) octadecanoate; propane-1,2-diol CAS Name: octadecanoic acid 2,3-bis(1-oxooctadecyldioxy)propyl ester; octadecanoic acid [3-hydroxy-2-(1-oxooctadecyldioxy)propyl] ester; propane-1,2-diol IUPAC Name: 2,3-bis(octadecanoylperoxy)propyl octadecanoate; (3-hydroxy-2-octadecanoylperoxypropyl) octadecanoate; propane-1,2-diol Traditional Name: propane-1,2-diol; stearic acid 2,3-bis(stearoylperoxy)propyl ester; stearic acid (3-hydroxy-2-stearoylperoxy-propyl) ester Formula: C111H226O24 MolecularWeight: 1944.96774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OOC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OCC(COOC(=O)CCCCCCCCCCCCCCCCC)OOC(=O)CCCCCCCCCCCCCCCCC.CC(CO)O.CC(CO)O.CC(CO)O.CC(CO)O.CC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OOC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OCC(COOC(=O)CCCCCCCCCCCCCCCCC)OOC(=O)CCCCCCCCCCCCCCCCC.CC(CO)O.CC(CO)O.CC(CO)O.CC(CO)O.CC(CO)O

InChI

InChI=1S/C57H110O8.C39H76O6.5C3H8O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-65-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-64-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-45-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;5*1-3(5)2-4/h54H,4-53H2,1-3H3;37,40H,3-36H2,1-2H3;5*3-5H,2H2,1H3