(E)-2-phenyl-1-phosphonato-ethenesulfonic acid; zirconium(2+); phosphate

Systemtic Name: (E)-2-phenyl-1-phosphonato-ethenesulfonic acid; zirconium(2+); phosphate Openeye Name: (E)-2-phenyl-1-phosphonato-ethenesulfonic acid; zirconium(2+); phosphate CAS Name: (E)-2-phenyl-1-phosphonatoethenesulfonic acid; zirconium(2+); phosphate IUPAC Name: (E)-2-phenyl-1-phosphonatoethenesulfonic acid; zirconium(2+); phosphate Traditional Name: (E)-2-phenyl-1-phosphonato-ethenesulfonic acid; zirconium(2+); phosphate Formula: C8H7O10P2SZr-3 MolecularWeight: 448.371702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9O6PS.H3O4P.Zr/c9-15(10,11)8(16(12,13)14)6-7-4-2-1-3-5-7;1-5(2,3)4;/h1-6H,(H2,9,10,11)(H,12,13,14);(H3,1,2,3,4);/q;;+2/p-5/b8-6+;;