decanoic acid; octanoic acid; 1-oxidanylpropan-2-olate

Systemtic Name: decanoic acid; octanoic acid; 1-oxidanylpropan-2-olate Openeye Name: decanoic acid; 1-hydroxypropan-2-olate; octanoic acid CAS Name: decanoic acid; 1-hydroxy-2-propanolate; octanoic acid IUPAC Name: decanoic acid; 1-hydroxypropan-2-olate; octanoic acid Traditional Name: capric acid; caprylic acid; 1-hydroxypropan-2-olate Formula: C21H43O6- MolecularWeight: 391.56252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(CO)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(CO)[O-]

InChI

InChI=1S/C10H20O2.C8H16O2.C3H7O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-4H,2H2,1H3/q;;-1