tetraaluminum 1,1-diphosphonatoethanol

Systemtic Name: tetraaluminum 1,1-diphosphonatoethanol Openeye Name: tetraaluminum 1,1-diphosphonatoethanol CAS Name: tetraaluminum 1,1-diphosphonatoethanol IUPAC Name: tetraaluminum 1,1-diphosphonatoethanol Traditional Name: tetraaluminum 1,1-diphosphonatoethanol Formula: C6H12Al4O21P6 MolecularWeight: 713.915598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C2H8O7P2.4Al/c3*1-2(3,10(4,5)6)11(7,8)9;;;;/h3*3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;;;4*+3/p-12