gallium (E)-4,4,4-tris(chloranyl)but-2-enoate

Systemtic Name: gallium (E)-4,4,4-tris(chloranyl)but-2-enoate Openeye Name: gallium (E)-4,4,4-trichlorobut-2-enoate CAS Name: gallium (E)-4,4,4-trichloro-2-butenoate IUPAC Name: gallium (E)-4,4,4-trichlorobut-2-enoate Traditional Name: gallium (E)-4,4,4-trichlorobut-2-enoate Formula: C12H6Cl9GaO6 MolecularWeight: 634.97244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(=CC(Cl)(Cl)Cl)C(=O)[O-].C(=CC(Cl)(Cl)Cl)C(=O)[O-].C(=CC(Cl)(Cl)Cl)C(=O)[O-].[Ga+3]

Isomeric SMILES

C(=C/C(Cl)(Cl)Cl)\C(=O)[O-].C(=C/C(Cl)(Cl)Cl)\C(=O)[O-].C(=C/C(Cl)(Cl)Cl)\C(=O)[O-].[Ga+3]

InChI

InChI=1S/3C4H3Cl3O2.Ga/c3*5-4(6,7)2-1-3(8)9;/h3*1-2H,(H,8,9);/q;;;+3/p-3/b3*2-1+;