tetraaluminum; butan-2-olate; propan-2-olate

Systemtic Name: tetraaluminum; butan-2-olate; propan-2-olate Openeye Name: tetraaluminum; butan-2-olate; propan-2-olate CAS Name: tetraaluminum; 2-butanolate; 2-propanolate IUPAC Name: tetraaluminum; butan-2-olate; propan-2-olate Traditional Name: tetraaluminum; butan-2-olate; propan-2-olate Formula: C45H102Al4O12 MolecularWeight: 943.210332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/9C4H9O.3C3H7O.4Al/c9*1-3-4(2)5;3*1-3(2)4;;;;/h9*4H,3H2,1-2H3;3*3H,1-2H3;;;;/q12*-1;4*+3