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

Systemtic Name: ethanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: acetic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: acetic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: acetic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: acetic acid; 2-ethyl-2-methylol-propane-1,3-diol Formula: C20H44O14 MolecularWeight: 508.55496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H14O3.4C2H4O2/c2*1-2-6(3-7,4-8)5-9;4*1-2(3)4/h2*7-9H,2-5H2,1H3;4*1H3,(H,3,4)