(2-oxidanylidene-2-phenyl-ethanoyl) benzoate; zirconium(2+)

Systemtic Name: (2-oxidanylidene-2-phenyl-ethanoyl) benzoate; zirconium(2+) Openeye Name: (2-oxo-2-phenyl-acetyl) benzoate; zirconium(2+) CAS Name: benzoic acid (1,2-dioxo-2-phenylethyl) ester; zirconium(2+) IUPAC Name: (2-oxo-2-phenylacetyl) benzoate; zirconium(2+) Traditional Name: benzoic acid (2-keto-2-phenyl-acetyl) ester; zirconium(2+) Formula: C90H60O24Zr2+4 MolecularWeight: 1707.873

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

InChI

InChI=1S/6C15H10O4.2Zr/c6*16-13(11-7-3-1-4-8-11)15(18)19-14(17)12-9-5-2-6-10-12;;/h6*1-10H;;/q;;;;;;2*+2