dodecanoyl (E)-octadec-9-eneperoxoate; propane-1,2-diol; propane-1,2,3-triol

Systemtic Name: dodecanoyl (E)-octadec-9-eneperoxoate; propane-1,2-diol; propane-1,2,3-triol Openeye Name: dodecanoyl (E)-octadec-9-eneperoxoate; glycerol; propane-1,2-diol CAS Name: (E)-9-octadeceneperoxoic acid 1-oxododecyl ester; propane-1,2-diol; propane-1,2,3-triol IUPAC Name: dodecanoyl (E)-octadec-9-eneperoxoate; propane-1,2-diol; propane-1,2,3-triol Traditional Name: glycerol; (E)-octadec-9-eneperoxoic acid lauroyl ester; propane-1,2-diol Formula: C42H88O15 MolecularWeight: 833.13912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCC=CCCCCCCCC.CC(CO)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OOC(=O)CCCCCCC/C=C/CCCCCCCC.CC(CO)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O

InChI

InChI=1S/C30H56O4.3C3H8O3.C3H8O2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-30(32)34-33-29(31)27-25-23-21-19-12-10-8-6-4-2;3*4-1-3(6)2-5;1-3(5)2-4/h15-16H,3-14,17-28H2,1-2H3;3*3-6H,1-2H2;3-5H,2H2,1H3/b16-15+;;;;