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

Systemtic Name: butanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: butyric acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: butanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: butanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: butyric acid; 2-ethyl-2-methylol-propane-1,3-diol Formula: C18H38O9 MolecularWeight: 398.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCC(CO)(CO)CO

Isomeric SMILES

CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCC(CO)(CO)CO

InChI

InChI=1S/C6H14O3.3C4H8O2/c1-2-6(3-7,4-8)5-9;3*1-2-3-4(5)6/h7-9H,2-5H2,1H3;3*2-3H2,1H3,(H,5,6)