2-phosphonatobenzenesulfonic acid; zirconium(2+); phosphate

Systemtic Name: 2-phosphonatobenzenesulfonic acid; zirconium(2+); phosphate Openeye Name: 2-phosphonatobenzenesulfonic acid; zirconium(2+); phosphate CAS Name: 2-phosphonatobenzenesulfonic acid; zirconium(2+); phosphate IUPAC Name: 2-phosphonatobenzenesulfonic acid; zirconium(2+); phosphate Traditional Name: 2-phosphonatobesylic acid; zirconium(2+); phosphate Formula: C6H5O10P2SZr-3 MolecularWeight: 422.334422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)P(=O)([O-])[O-])S(=O)(=O)O.[O-]P(=O)([O-])[O-].[Zr+2]

Isomeric SMILES

C1=CC=C(C(=C1)P(=O)([O-])[O-])S(=O)(=O)O.[O-]P(=O)([O-])[O-].[Zr+2]

InChI

InChI=1S/C6H7O6PS.H3O4P.Zr/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12;1-5(2,3)4;/h1-4H,(H2,7,8,9)(H,10,11,12);(H3,1,2,3,4);/q;;+2/p-5