2-ethyl-2-(hydroxymethyl)propane-1,3-diol; octanoic acid

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; octanoic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; octanoic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; octanoic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; octanoic acid Traditional Name: caprylic acid; 2-ethyl-2-methylol-propane-1,3-diol Formula: C14H30O5 MolecularWeight: 278.385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.CCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCC(=O)O.CCC(CO)(CO)CO

InChI

InChI=1S/C8H16O2.C6H14O3/c1-2-3-4-5-6-7-8(9)10;1-2-6(3-7,4-8)5-9/h2-7H2,1H3,(H,9,10);7-9H,2-5H2,1H3