tricalcium ethane-1,2-diol diphosphate

Systemtic Name: tricalcium ethane-1,2-diol diphosphate Openeye Name: tricalcium ethylene glycol diphosphate CAS Name: tricalcium ethane-1,2-diol diphosphate IUPAC Name: tricalcium ethane-1,2-diol diphosphate Traditional Name: tricalcium ethylene glycol diphosphate Formula: C2H6Ca3O10P2 MolecularWeight: 372.244562

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C(CO)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/C2H6O2.3Ca.2H3O4P/c3-1-2-4;;;;2*1-5(2,3)4/h3-4H,1-2H2;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6