pentacalcium phosphonato phosphate difluoride

Systemtic Name: pentacalcium phosphonato phosphate difluoride Openeye Name: pentacalcium phosphonato phosphate difluoride CAS Name: pentacalcium phosphonato phosphate difluoride IUPAC Name: pentacalcium phosphonato phosphate difluoride Traditional Name: pentacalcium phosphonato phosphate difluoride Formula: Ca5F2O14P4 MolecularWeight: 586.27345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5Ca.2FH.2H4O7P2/c;;;;;;;2*1-8(2,3)7-9(4,5)6/h;;;;;2*1H;2*(H2,1,2,3)(H2,4,5,6)/q5*+2;;;;/p-10