2-bromanyl-3,3-dimethyl-2H-1,3-thiazol-3-ium-4,5-dicarboxylic acid

Systemtic Name: 2-bromanyl-3,3-dimethyl-2H-1,3-thiazol-3-ium-4,5-dicarboxylic acid Openeye Name: 2-bromo-3,3-dimethyl-2H-thiazol-3-ium-4,5-dicarboxylic acid CAS Name: 2-bromo-3,3-dimethyl-2H-thiazol-3-ium-4,5-dicarboxylic acid IUPAC Name: 2-bromo-3,3-dimethyl-2H-1,3-thiazol-3-ium-4,5-dicarboxylic acid Traditional Name: 2-bromo-3,3-dimethyl-4-thiazolin-3-ium-4,5-dicarboxylic acid Formula: C7H9BrNO4S+ MolecularWeight: 283.11966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(SC(=C1C(=O)O)C(=O)O)Br)C

Isomeric SMILES

C[N+]1(C(SC(=C1C(=O)O)C(=O)O)Br)C

InChI

InChI=1S/C7H8BrNO4S/c1-9(2)3(5(10)11)4(6(12)13)14-7(9)8/h7H,1-2H3,(H-,10,11,12,13)/p+1