(E)-12-oxidanyloctadec-9-enoic acid; propane-1,2,3-triol

Systemtic Name: (E)-12-oxidanyloctadec-9-enoic acid; propane-1,2,3-triol Openeye Name: glycerol; (E)-12-hydroxyoctadec-9-enoic acid CAS Name: (E)-12-hydroxy-9-octadecenoic acid; propane-1,2,3-triol IUPAC Name: (E)-12-hydroxyoctadec-9-enoic acid; propane-1,2,3-triol Traditional Name: glycerol; (E)-12-hydroxyoctadec-9-enoic acid Formula: C21H42O6 MolecularWeight: 390.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)O.C(C(CO)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)O)O.C(C(CO)O)O

InChI

InChI=1S/C18H34O3.C3H8O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;4-1-3(6)2-5/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3-6H,1-2H2/b12-9+;