3-bromanyl-2,2-dimethyl-4-oxidanylidene-pentanedioate

Systemtic Name: 3-bromanyl-2,2-dimethyl-4-oxidanylidene-pentanedioate Openeye Name: 3-bromo-2,2-dimethyl-4-oxo-pentanedioate CAS Name: 3-bromo-2,2-dimethyl-4-oxopentanedioate IUPAC Name: 3-bromo-2,2-dimethyl-4-oxopentanedioate Traditional Name: 3-bromo-4-keto-2,2-dimethyl-glutarate Formula: C7H7BrO5-2 MolecularWeight: 251.03148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)C(=O)[O-])Br)C(=O)[O-]

Isomeric SMILES

CC(C)(C(C(=O)C(=O)[O-])Br)C(=O)[O-]

InChI

InChI=1S/C7H9BrO5/c1-7(2,6(12)13)4(8)3(9)5(10)11/h4H,1-2H3,(H,10,11)(H,12,13)/p-2