[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2-oxidanylideneoctanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2-oxidanylideneoctanoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-oxooctanoate CAS Name: 2-oxooctanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-oxooctanoate Traditional Name: 2-ketocaprylic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C13H24O6 MolecularWeight: 276.32606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C(=O)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCC(=O)C(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C13H24O6/c1-2-3-4-5-6-11(17)12(18)19-10-13(7-14,8-15)9-16/h14-16H,2-10H2,1H3