butane-1,4-diol; 2,2-dimethylpropane-1,3-diol

Systemtic Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol Openeye Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol CAS Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol IUPAC Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol Traditional Name: butane-1,4-diol; 2,2-dimethylpropane-1,3-diol Formula: C9H22O4 MolecularWeight: 194.26858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.C(CCO)CO

Isomeric SMILES

CC(C)(CO)CO.C(CCO)CO

InChI

InChI=1S/C5H12O2.C4H10O2/c1-5(2,3-6)4-7;5-3-1-2-4-6/h6-7H,3-4H2,1-2H3;5-6H,1-4H2