(E)-docos-13-enoic acid; 1-oxidanylpropan-2-olate

Systemtic Name: (E)-docos-13-enoic acid; 1-oxidanylpropan-2-olate Openeye Name: (E)-docos-13-enoic acid; 1-hydroxypropan-2-olate CAS Name: (E)-13-docosenoic acid; 1-hydroxy-2-propanolate IUPAC Name: (E)-docos-13-enoic acid; 1-hydroxypropan-2-olate Traditional Name: (E)-docos-13-enoic acid; 1-hydroxypropan-2-olate Formula: C25H49O4- MolecularWeight: 413.65416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)O.CC(CO)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O.CC(CO)[O-]

InChI

InChI=1S/C22H42O2.C3H7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3(5)2-4/h9-10H,2-8,11-21H2,1H3,(H,23,24);3-4H,2H2,1H3/q;-1/b10-9+;