dialuminum (E)-but-2-enedioate

Systemtic Name: dialuminum (E)-but-2-enedioate Openeye Name: dialuminum (E)-but-2-enedioate CAS Name: dialuminum (E)-2-butenedioate IUPAC Name: dialuminum (E)-but-2-enedioate Traditional Name: dialuminum trifumarate Formula: C12H6Al2O12 MolecularWeight: 396.131916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C4H4O4.2Al/c3*5-3(6)1-2-4(7)8;;/h3*1-2H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/b3*2-1+;;