1,3-bis(oxidanyl)propan-2-yl octanoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl octanoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] octanoate CAS Name: octanoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl octanoate Traditional Name: caprylic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C11H22O4 MolecularWeight: 218.28998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CO)CO

Isomeric SMILES

CCCCCCCC(=O)OC(CO)CO

InChI

InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-10(8-12)9-13/h10,12-13H,2-9H2,1H3