2,3-bis(oxidanyl)propyl octadecanoate; (E)-octadec-9-enoate

Systemtic Name: 2,3-bis(oxidanyl)propyl octadecanoate; (E)-octadec-9-enoate Openeye Name: 2,3-dihydroxypropyl octadecanoate; (E)-octadec-9-enoate CAS Name: octadecanoic acid 2,3-dihydroxypropyl ester; (E)-9-octadecenoate IUPAC Name: 2,3-dihydroxypropyl octadecanoate; (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoate; stearic acid glyceryl ester Formula: C39H75O6- MolecularWeight: 640.0092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.CCCCCCCCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.CCCCCCCC/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C21H42O4.C18H34O2/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h20,22-23H,2-19H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b;10-9+