(9E,12E)-octadeca-9,12-dienoic acid; 5-oxidanylidenepyrrolidine-2-carboxylate; propane-1,2,3-triol

Systemtic Name: (9E,12E)-octadeca-9,12-dienoic acid; 5-oxidanylidenepyrrolidine-2-carboxylate; propane-1,2,3-triol Openeye Name: glycerol; (9E,12E)-octadeca-9,12-dienoic acid; 5-oxopyrrolidine-2-carboxylate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid; 5-oxo-2-pyrrolidinecarboxylate; propane-1,2,3-triol IUPAC Name: (9E,12E)-octadeca-9,12-dienoic acid; 5-oxopyrrolidine-2-carboxylate; propane-1,2,3-triol Traditional Name: glycerol; (9E,12E)-octadeca-9,12-dienoic acid; pyroglutamate Formula: C26H46NO8- MolecularWeight: 500.64534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.C1CC(=O)NC1C(=O)[O-].C(C(CO)O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)O.C1CC(=O)NC1C(=O)[O-].C(C(CO)O)O

InChI

InChI=1S/C18H32O2.C5H7NO3.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-4-2-1-3(6-4)5(8)9;4-1-3(6)2-5/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);3H,1-2H2,(H,6,7)(H,8,9);3-6H,1-2H2/p-1/b7-6+,10-9+;;