docosanoic acid; 1-oxidanylpropan-2-olate

Systemtic Name: docosanoic acid; 1-oxidanylpropan-2-olate Openeye Name: docosanoic acid; 1-hydroxypropan-2-olate CAS Name: docosanoic acid; 1-hydroxy-2-propanolate IUPAC Name: docosanoic acid; 1-hydroxypropan-2-olate Traditional Name: behenic acid; 1-hydroxypropan-2-olate Formula: C25H51O4- MolecularWeight: 415.67004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(CO)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(CO)[O-]

InChI

InChI=1S/C22H44O2.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/h2-21H2,1H3,(H,23,24);3-4H,2H2,1H3/q;-1