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

Systemtic Name: butanedioate; 2,2-dimethylpropane-1,3-diol Openeye Name: butanedioate; 2,2-dimethylpropane-1,3-diol CAS Name: butanedioate; 2,2-dimethylpropane-1,3-diol IUPAC Name: butanedioate; 2,2-dimethylpropane-1,3-diol Traditional Name: 2,2-dimethylpropane-1,3-diol; succinate Formula: C9H16O6-2 MolecularWeight: 220.21974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(CO)CO.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C5H12O2.C4H6O4/c1-5(2,3-6)4-7;5-3(6)1-2-4(7)8/h6-7H,3-4H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/p-2