2-[2-(2-oxidanidylethyl)-3-[2-oxidanylidene-2-(phenylcarbonyloxy)ethanoyl]phenyl]ethanolate; (2-oxidanylidene-2-phenyl-ethanoyl) benzoate; zirconium(2+)

Systemtic Name: 2-[2-(2-oxidanidylethyl)-3-[2-oxidanylidene-2-(phenylcarbonyloxy)ethanoyl]phenyl]ethanolate; (2-oxidanylidene-2-phenyl-ethanoyl) benzoate; zirconium(2+) Openeye Name: 2-[3-(2-benzoyloxy-2-oxo-acetyl)-2-(2-oxidoethyl)phenyl]ethanolate; (2-oxo-2-phenyl-acetyl) benzoate; zirconium(2+) CAS Name: benzoic acid (1,2-dioxo-2-phenylethyl) ester; 2-[3-(2-benzoyloxy-1,2-dioxoethyl)-2-(2-oxidoethyl)phenyl]ethanolate; zirconium(2+) IUPAC Name: 2-[3-(2-benzoyloxy-2-oxoacetyl)-2-(2-oxidoethyl)phenyl]ethanolate; (2-oxo-2-phenylacetyl) benzoate; zirconium(2+) Traditional Name: benzoic acid (2-keto-2-phenyl-acetyl) ester; 2-[3-(2-benzoyloxy-2-keto-acetyl)-2-(2-oxidoethyl)phenyl]ethanolate; zirconium(2+) Formula: C34H26O10Zr MolecularWeight: 685.78824

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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)CC[O-])CC[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)CC[O-])CC[O-].[Zr+2]

InChI

InChI=1S/C19H16O6.C15H10O4.Zr/c20-11-9-13-7-4-8-16(15(13)10-12-21)17(22)19(24)25-18(23)14-5-2-1-3-6-14;16-13(11-7-3-1-4-8-11)15(18)19-14(17)12-9-5-2-6-10-12;/h1-8H,9-12H2;1-10H;/q-2;;+2