(E)-octadec-9-enoic acid; 5-oxidanylidenepyrrolidine-2-carboxylate; propane-1,2,3-triol

Systemtic Name: (E)-octadec-9-enoic acid; 5-oxidanylidenepyrrolidine-2-carboxylate; propane-1,2,3-triol Openeye Name: glycerol; (E)-octadec-9-enoic acid; 5-oxopyrrolidine-2-carboxylate CAS Name: (E)-9-octadecenoic acid; 5-oxo-2-pyrrolidinecarboxylate; propane-1,2,3-triol IUPAC Name: (E)-octadec-9-enoic acid; 5-oxopyrrolidine-2-carboxylate; propane-1,2,3-triol Traditional Name: elaidic acid; glycerol; pyroglutamate Formula: C26H48NO8- MolecularWeight: 502.66122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.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/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,1-2H2,(H,6,7)(H,8,9);3-6H,1-2H2/p-1/b10-9+;;