(E)-octadec-9-enoate; 5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: (E)-octadec-9-enoate; 5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: (E)-octadec-9-enoate; 5-oxopyrrolidine-2-carboxylic acid CAS Name: (E)-9-octadecenoate; 5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (E)-octadec-9-enoate; 5-oxopyrrolidine-2-carboxylic acid Traditional Name: (E)-octadec-9-enoate; pyroglutamic acid Formula: C23H40NO5- MolecularWeight: 410.5674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.C5H7NO3/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/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,1-2H2,(H,6,7)(H,8,9)/p-1/b10-9+;