tricalcium 2-oxidanyl-3-phosphonatooxy-propanoate

Systemtic Name: tricalcium 2-oxidanyl-3-phosphonatooxy-propanoate Openeye Name: tricalcium 2-hydroxy-3-phosphonatooxy-propanoate CAS Name: tricalcium 2-hydroxy-3-phosphonatooxypropanoate IUPAC Name: tricalcium 2-hydroxy-3-phosphonatooxypropanoate Traditional Name: tricalcium 2-hydroxy-3-phosphato-propionate Formula: C6H8Ca3O14P2 MolecularWeight: 486.300842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C3H7O7P.3Ca/c2*4-2(3(5)6)1-10-11(7,8)9;;;/h2*2,4H,1H2,(H,5,6)(H2,7,8,9);;;/q;;3*+2/p-6