3-[2-(3-oxidanidylpropyl)-3-[2-oxidanylidene-2-(phenylcarbonyloxy)ethanoyl]phenyl]propan-1-olate; (2-oxidanylidene-2-phenyl-ethanoyl) benzoate; zirconium(2+)

Systemtic Name: 3-[2-(3-oxidanidylpropyl)-3-[2-oxidanylidene-2-(phenylcarbonyloxy)ethanoyl]phenyl]propan-1-olate; (2-oxidanylidene-2-phenyl-ethanoyl) benzoate; zirconium(2+) Openeye Name: 3-[3-(2-benzoyloxy-2-oxo-acetyl)-2-(3-oxidopropyl)phenyl]propan-1-olate; (2-oxo-2-phenyl-acetyl) benzoate; zirconium(2+) CAS Name: benzoic acid (1,2-dioxo-2-phenylethyl) ester; 3-[3-(2-benzoyloxy-1,2-dioxoethyl)-2-(3-oxidopropyl)phenyl]-1-propanolate; zirconium(2+) IUPAC Name: 3-[3-(2-benzoyloxy-2-oxoacetyl)-2-(3-oxidopropyl)phenyl]propan-1-olate; (2-oxo-2-phenylacetyl) benzoate; zirconium(2+) Traditional Name: benzoic acid (2-keto-2-phenyl-acetyl) ester; 3-[3-(2-benzoyloxy-2-keto-acetyl)-2-(3-oxidopropyl)phenyl]propan-1-olate; zirconium(2+) Formula: C36H30O10Zr MolecularWeight: 713.8414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=O)OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)OC(=O)C(=O)C2=C(C(=CC=C2)CCC[O-])CCC[O-].[Zr+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(=O)OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)OC(=O)C(=O)C2=C(C(=CC=C2)CCC[O-])CCC[O-].[Zr+2]

InChI

InChI=1S/C21H20O6.C15H10O4.Zr/c22-13-5-10-15-9-4-11-18(17(15)12-6-14-23)19(24)21(26)27-20(25)16-7-2-1-3-8-16;16-13(11-7-3-1-4-8-11)15(18)19-14(17)12-9-5-2-6-10-12;/h1-4,7-9,11H,5-6,10,12-14H2;1-10H;/q-2;;+2