(E)-but-2-ene-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: (E)-but-2-ene-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: (E)-but-2-ene-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: (E)-2-butene-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: (E)-but-2-ene-1,4-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: (E)-but-2-ene-1,4-diol; 2-ethyl-2-methylol-propane-1,3-diol Formula: C10H22O5 MolecularWeight: 222.27868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C(C=CCO)O

Isomeric SMILES

CCC(CO)(CO)CO.C(/C=C/CO)O

InChI

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