tetraaluminum propane-1,3-diamine dodecaethanoate

Systemtic Name: tetraaluminum propane-1,3-diamine dodecaethanoate Openeye Name: tetraaluminum propane-1,3-diamine dodecaacetate CAS Name: tetraaluminum propane-1,3-diamine dodecaacetate IUPAC Name: tetraaluminum propane-1,3-diamine dodecaacetate Traditional Name: tetraaluminum 3-aminopropylamine dodecaacetate Formula: C33H66Al4N6O24 MolecularWeight: 1038.829092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C3H10N2.12C2H4O2.4Al/c3*4-2-1-3-5;12*1-2(3)4;;;;/h3*1-5H2;12*1H3,(H,3,4);;;;/q;;;;;;;;;;;;;;;4*+3/p-12