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

Systemtic Name: decanoate; [2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] octanoate Openeye Name: decanoate; [4-hydroxy-1,1-bis(hydroxymethyl)butyl] octanoate CAS Name: decanoate; octanoic acid [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] ester IUPAC Name: decanoate; [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] octanoate Traditional Name: caprate; caprylic acid (4-hydroxy-1,1-dimethylol-butyl) ester Formula: C24H47O7- MolecularWeight: 447.62578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[O-].CCCCCCCC(=O)OC(CCCO)(CO)CO

Isomeric SMILES

CCCCCCCCCC(=O)[O-].CCCCCCCC(=O)OC(CCCO)(CO)CO

InChI

InChI=1S/C14H28O5.C10H20O2/c1-2-3-4-5-6-8-13(18)19-14(11-16,12-17)9-7-10-15;1-2-3-4-5-6-7-8-9-10(11)12/h15-17H,2-12H2,1H3;2-9H2,1H3,(H,11,12)/p-1