[2,2-bis(hydroxymethyl)-3-octanoyloxy-propyl] octanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-octanoyloxy-propyl] octanoate Openeye Name: [2,2-bis(hydroxymethyl)-3-octanoyloxy-propyl] octanoate CAS Name: octanoic acid [2,2-bis(hydroxymethyl)-3-(1-oxooctoxy)propyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-3-octanoyloxypropyl] octanoate Traditional Name: caprylic acid [2-(caprylyloxymethyl)-3-hydroxy-2-methylol-propyl] ester Formula: C21H40O6 MolecularWeight: 388.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC

InChI

InChI=1S/C21H40O6/c1-3-5-7-9-11-13-19(24)26-17-21(15-22,16-23)18-27-20(25)14-12-10-8-6-4-2/h22-23H,3-18H2,1-2H3