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

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-oxidanylidenebutanoic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-oxobutanoic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-oxobutanoic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-oxobutanoic acid Traditional Name: acetoacetic acid; 2-ethyl-2-methylol-propane-1,3-diol Formula: C28H52O18 MolecularWeight: 676.70168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H14O3.4C4H6O3/c2*1-2-6(3-7,4-8)5-9;4*1-3(5)2-4(6)7/h2*7-9H,2-5H2,1H3;4*2H2,1H3,(H,6,7)