1,3-bis(oxidanyl)propan-2-yl (E)-2-ethanoyl-12-oxidanyl-octadec-9-enoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl (E)-2-ethanoyl-12-oxidanyl-octadec-9-enoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] (E)-2-acetyl-12-hydroxy-octadec-9-enoate CAS Name: (E)-2-acetyl-12-hydroxy-9-octadecenoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl (E)-2-acetyl-12-hydroxyoctadec-9-enoate Traditional Name: (E)-2-acetyl-12-hydroxy-octadec-9-enoic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C23H42O6 MolecularWeight: 414.57598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(C(=O)C)C(=O)OC(CO)CO)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(C(=O)C)C(=O)OC(CO)CO)O

InChI

InChI=1S/C23H42O6/c1-3-4-5-11-14-20(27)15-12-9-7-6-8-10-13-16-22(19(2)26)23(28)29-21(17-24)18-25/h9,12,20-22,24-25,27H,3-8,10-11,13-18H2,1-2H3/b12-9+