aluminum azete-2-carboxylate hydrate

Systemtic Name: aluminum azete-2-carboxylate hydrate Openeye Name: aluminum azete-2-carboxylate hydrate CAS Name: aluminum 2-azetecarboxylate hydrate IUPAC Name: aluminum azete-2-carboxylate hydrate Traditional Name: aluminum azete-2-carboxylate hydrate Formula: C12H8AlN3O7 MolecularWeight: 333.189358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C1C(=O)[O-].C1=CN=C1C(=O)[O-].C1=CN=C1C(=O)[O-].O.[Al+3]

Isomeric SMILES

C1=CN=C1C(=O)[O-].C1=CN=C1C(=O)[O-].C1=CN=C1C(=O)[O-].O.[Al+3]

InChI

InChI=1S/3C4H3NO2.Al.H2O/c3*6-4(7)3-1-2-5-3;;/h3*1-2H,(H,6,7);;1H2/q;;;+3;/p-3