pentacalcium [oxidanidyl(phosphonatooxy)phosphoryl] phosphate

Systemtic Name: pentacalcium [oxidanidyl(phosphonatooxy)phosphoryl] phosphate Openeye Name: pentacalcium [oxido(phosphonatooxy)phosphoryl] phosphate CAS Name: pentacalcium [oxido(phosphonatooxy)phosphoryl] phosphate IUPAC Name: pentacalcium [oxido(phosphonatooxy)phosphoryl] phosphate Traditional Name: pentacalcium [oxido(phosphato)phosphoryl] phosphate Formula: Ca5O20P6 MolecularWeight: 706.220566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5Ca.2H5O10P3/c;;;;;2*1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;2*(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+2;;/p-10