4-phosphonatooxybutanoate; zirconium(4+)

Systemtic Name: 4-phosphonatooxybutanoate; zirconium(4+) Openeye Name: 4-phosphonatooxybutanoate; zirconium(4+) CAS Name: 4-phosphonatooxybutanoate; zirconium(4+) IUPAC Name: 4-phosphonatooxybutanoate; zirconium(4+) Traditional Name: 4-phosphatobutyrate; zirconium(4+) Formula: C16H24O24P4Zr3 MolecularWeight: 997.914404

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])COP(=O)([O-])[O-].C(CC(=O)[O-])COP(=O)([O-])[O-].C(CC(=O)[O-])COP(=O)([O-])[O-].C(CC(=O)[O-])COP(=O)([O-])[O-].[Zr+4].[Zr+4].[Zr+4]

Isomeric SMILES

C(CC(=O)[O-])COP(=O)([O-])[O-].C(CC(=O)[O-])COP(=O)([O-])[O-].C(CC(=O)[O-])COP(=O)([O-])[O-].C(CC(=O)[O-])COP(=O)([O-])[O-].[Zr+4].[Zr+4].[Zr+4]

InChI

InChI=1S/4C4H9O6P.3Zr/c4*5-4(6)2-1-3-10-11(7,8)9;;;/h4*1-3H2,(H,5,6)(H2,7,8,9);;;/q;;;;3*+4/p-12