(Z)-docos-13-enoic acid; 1-oxidanylpyrrolidine-2,5-dione

Systemtic Name: (Z)-docos-13-enoic acid; 1-oxidanylpyrrolidine-2,5-dione Openeye Name: (Z)-docos-13-enoic acid; 1-hydroxypyrrolidine-2,5-dione CAS Name: (Z)-13-docosenoic acid; 1-hydroxypyrrolidine-2,5-dione IUPAC Name: (Z)-docos-13-enoic acid; 1-hydroxypyrrolidine-2,5-dione Traditional Name: erucic acid; 1-hydroxypyrrolidine-2,5-quinone Formula: C26H47NO5 MolecularWeight: 453.65508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)O.C1CC(=O)N(C1=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.C1CC(=O)N(C1=O)O

InChI

InChI=1S/C22H42O2.C4H5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;6-3-1-2-4(7)5(3)8/h9-10H,2-8,11-21H2,1H3,(H,23,24);8H,1-2H2/b10-9-;