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

Systemtic Name: ethanoic acid; 2-(hydroxymethyl)-2-propyl-propane-1,3-diol Openeye Name: acetic acid; 2-(hydroxymethyl)-2-propyl-propane-1,3-diol CAS Name: acetic acid; 2-(hydroxymethyl)-2-propylpropane-1,3-diol IUPAC Name: acetic acid; 2-(hydroxymethyl)-2-propylpropane-1,3-diol Traditional Name: acetic acid; 2-methylol-2-propyl-propane-1,3-diol Formula: C13H28O9 MolecularWeight: 328.35602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CO)(CO)CO.CC(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCC(CO)(CO)CO.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C7H16O3.3C2H4O2/c1-2-3-7(4-8,5-9)6-10;3*1-2(3)4/h8-10H,2-6H2,1H3;3*1H3,(H,3,4)