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

Systemtic Name: aluminum (E)-4,4,4-tris(chloranyl)but-2-enoate Openeye Name: aluminum (E)-4,4,4-trichlorobut-2-enoate CAS Name: aluminum (E)-4,4,4-trichloro-2-butenoate IUPAC Name: aluminum (E)-4,4,4-trichlorobut-2-enoate Traditional Name: aluminum (E)-4,4,4-trichlorobut-2-enoate Formula: C12H6AlCl9O6 MolecularWeight: 592.230978

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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-].[Al+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-].[Al+3]

InChI

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