calcium titanium(4+) hexaphosphate

Systemtic Name: calcium titanium(4+) hexaphosphate Openeye Name: calcium titanium(4+) hexaphosphate CAS Name: calcium titanium(4+) hexaphosphate IUPAC Name: calcium titanium(4+) hexaphosphate Traditional Name: calcium titanium(4+) hexaphosphate Formula: CaO24P6Ti4 MolecularWeight: 801.374166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ti+4].[Ti+4].[Ti+4].[Ti+4]

Isomeric SMILES

[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ti+4].[Ti+4].[Ti+4].[Ti+4]

InChI

InChI=1S/Ca.6H3O4P.4Ti/c;6*1-5(2,3)4;;;;/h;6*(H3,1,2,3,4);;;;/q+2;;;;;;;4*+4/p-18