2,2-dimethylpropane-1,3-diol; propane-1,2-diol

Systemtic Name: 2,2-dimethylpropane-1,3-diol; propane-1,2-diol Openeye Name: 2,2-dimethylpropane-1,3-diol; propane-1,2-diol CAS Name: 2,2-dimethylpropane-1,3-diol; propane-1,2-diol IUPAC Name: 2,2-dimethylpropane-1,3-diol; propane-1,2-diol Traditional Name: 2,2-dimethylpropane-1,3-diol; propane-1,2-diol Formula: C8H20O4 MolecularWeight: 180.242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.CC(C)(CO)CO

Isomeric SMILES

CC(CO)O.CC(C)(CO)CO

InChI

InChI=1S/C5H12O2.C3H8O2/c1-5(2,3-6)4-7;1-3(5)2-4/h6-7H,3-4H2,1-2H3;3-5H,2H2,1H3