dodecanoyl (E)-2,2,3-tris[2,3-bis(oxidanyl)propyl]octadec-9-eneperoxoate

Systemtic Name: dodecanoyl (E)-2,2,3-tris[2,3-bis(oxidanyl)propyl]octadec-9-eneperoxoate Openeye Name: dodecanoyl (E)-2,2,3-tris(2,3-dihydroxypropyl)octadec-9-eneperoxoate CAS Name: (E)-2,2,3-tris(2,3-dihydroxypropyl)-9-octadeceneperoxoic acid 1-oxododecyl ester IUPAC Name: dodecanoyl (E)-2,2,3-tris(2,3-dihydroxypropyl)octadec-9-eneperoxoate Traditional Name: (E)-2,2,3-triglyceryloctadec-9-eneperoxoic acid lauroyl ester Formula: C39H74O10 MolecularWeight: 702.99886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OOC(=O)C(CC(CO)O)(CC(CO)O)C(CCCCCC=CCCCCCCCC)CC(CO)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OOC(=O)C(CC(CO)O)(CC(CO)O)C(CCCCC/C=C/CCCCCCCC)CC(CO)O

InChI

InChI=1S/C39H74O10/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-33(27-34(43)30-40)39(28-35(44)31-41,29-36(45)32-42)38(47)49-48-37(46)26-24-22-20-17-12-10-8-6-4-2/h15-16,33-36,40-45H,3-14,17-32H2,1-2H3/b16-15+