2,3-bis(oxidanyl)propyl octanoate; octanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl octanoate; octanoate Openeye Name: 2,3-dihydroxypropyl octanoate; octanoate CAS Name: octanoate; octanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl octanoate; octanoate Traditional Name: caprylate; caprylic acid glyceryl ester Formula: C27H52O8-2 MolecularWeight: 504.69698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)OCC(CO)O

Isomeric SMILES

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)OCC(CO)O

InChI

InChI=1S/C11H22O4.2C8H16O2/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12;2*1-2-3-4-5-6-7-8(9)10/h10,12-13H,2-9H2,1H3;2*2-7H2,1H3,(H,9,10)/p-2