4-[2-(4-oxidanidylbutyl)-3-[2-oxidanylidene-2-(phenylcarbonyloxy)ethanoyl]phenyl]butan-1-olate; (2-oxidanylidene-2-phenyl-ethanoyl) benzoate; zirconium(2+)

Systemtic Name: 4-[2-(4-oxidanidylbutyl)-3-[2-oxidanylidene-2-(phenylcarbonyloxy)ethanoyl]phenyl]butan-1-olate; (2-oxidanylidene-2-phenyl-ethanoyl) benzoate; zirconium(2+) Openeye Name: 4-[3-(2-benzoyloxy-2-oxo-acetyl)-2-(4-oxidobutyl)phenyl]butan-1-olate; (2-oxo-2-phenyl-acetyl) benzoate; zirconium(2+) CAS Name: benzoic acid (1,2-dioxo-2-phenylethyl) ester; 4-[3-(2-benzoyloxy-1,2-dioxoethyl)-2-(4-oxidobutyl)phenyl]-1-butanolate; zirconium(2+) IUPAC Name: 4-[3-(2-benzoyloxy-2-oxoacetyl)-2-(4-oxidobutyl)phenyl]butan-1-olate; (2-oxo-2-phenylacetyl) benzoate; zirconium(2+) Traditional Name: benzoic acid (2-keto-2-phenyl-acetyl) ester; 4-[3-(2-benzoyloxy-2-keto-acetyl)-2-(4-oxidobutyl)phenyl]butan-1-olate; zirconium(2+) Formula: C38H34O10Zr MolecularWeight: 741.89456

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

InChI

InChI=1S/C23H24O6.C15H10O4.Zr/c24-15-6-4-9-17-12-8-14-20(19(17)13-5-7-16-25)21(26)23(28)29-22(27)18-10-2-1-3-11-18;16-13(11-7-3-1-4-8-11)15(18)19-14(17)12-9-5-2-6-10-12;/h1-3,8,10-12,14H,4-7,9,13,15-16H2;1-10H;/q-2;;+2