(9E,12E)-octadeca-9,12-dienoic acid; pyrrolidine-2-carboxylic acid

Systemtic Name: (9E,12E)-octadeca-9,12-dienoic acid; pyrrolidine-2-carboxylic acid Openeye Name: (9E,12E)-octadeca-9,12-dienoic acid; pyrrolidine-2-carboxylic acid CAS Name: (9E,12E)-octadeca-9,12-dienoic acid; 2-pyrrolidinecarboxylic acid IUPAC Name: (9E,12E)-octadeca-9,12-dienoic acid; pyrrolidine-2-carboxylic acid Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid; proline Formula: C23H41NO4 MolecularWeight: 395.57594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.C1CC(NC1)C(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)O.C1CC(NC1)C(=O)O

InChI

InChI=1S/C18H32O2.C5H9NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-5(8)4-2-1-3-6-4/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);4,6H,1-3H2,(H,7,8)/b7-6+,10-9+;