[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 3-oxidanylnonanoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 3-oxidanylnonanoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] 3-hydroxynonanoate CAS Name: 3-hydroxynonanoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 3-hydroxynonanoate Traditional Name: 3-hydroxypelargonic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C14H28O5 MolecularWeight: 276.36912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28O5/c1-3-4-5-6-7-12(17)8-13(18)19-11-14(2,9-15)10-16/h12,15-17H,3-11H2,1-2H3