(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate; zirconium(4+)

Systemtic Name: (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate; zirconium(4+) Openeye Name: (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate; zirconium(4+) CAS Name: (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate; zirconium(4+) IUPAC Name: (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate; zirconium(4+) Traditional Name: (2,3,4,5,6-pentaphosphatocyclohexyl) phosphate; zirconium(4+) Formula: C6H6O24P6Zr3 MolecularWeight: 921.612006

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Zr+4].[Zr+4].[Zr+4]

Isomeric SMILES

C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Zr+4].[Zr+4].[Zr+4]

InChI

InChI=1S/C6H18O24P6.3Zr/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;/q;3*+4/p-12