[2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] octanoate

Systemtic Name: [2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] octanoate Openeye Name: [4-hydroxy-1,1-bis(hydroxymethyl)butyl] octanoate CAS Name: octanoic acid [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] ester IUPAC Name: [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] octanoate Traditional Name: caprylic acid (4-hydroxy-1,1-dimethylol-butyl) ester Formula: C14H28O5 MolecularWeight: 276.36912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CCCO)(CO)CO

Isomeric SMILES

CCCCCCCC(=O)OC(CCCO)(CO)CO

InChI

InChI=1S/C14H28O5/c1-2-3-4-5-6-8-13(18)19-14(11-16,12-17)9-7-10-15/h15-17H,2-12H2,1H3