2,3-bis(oxidanyl)propyl (9Z,12Z)-octadeca-9,12-dienoate; ethane-1,2-diol

Systemtic Name: 2,3-bis(oxidanyl)propyl (9Z,12Z)-octadeca-9,12-dienoate; ethane-1,2-diol Openeye Name: 2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate; ethylene glycol CAS Name: ethane-1,2-diol; (9Z,12Z)-octadeca-9,12-dienoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate; ethane-1,2-diol Traditional Name: ethylene glycol; (9Z,12Z)-octadeca-9,12-dienoic acid glyceryl ester Formula: C23H44O6 MolecularWeight: 416.59186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O.C(CO)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(CO)O.C(CO)O

InChI

InChI=1S/C21H38O4.C2H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;3-1-2-4/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3;3-4H,1-2H2/b7-6-,10-9-;