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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.CCC(CO)(CO)CO

Isomeric SMILES

CCCCC(CC)C(=O)O.CCC(CO)(CO)CO

InChI

InChI=1S/C8H16O2.C6H14O3/c1-3-5-6-7(4-2)8(9)10;1-2-6(3-7,4-8)5-9/h7H,3-6H2,1-2H3,(H,9,10);7-9H,2-5H2,1H3