1H-inden-1-ide; zirconium(2+); tribenzoate

Systemtic Name: 1H-inden-1-ide; zirconium(2+); tribenzoate Openeye Name: 1H-inden-1-ide; zirconium(2+); tribenzoate CAS Name: 1H-inden-1-ide; zirconium(2+); tribenzoate IUPAC Name: 1H-inden-1-ide; zirconium(2+); tribenzoate Traditional Name: 1H-inden-1-ide; zirconium(2+); tribenzoate Formula: C48H36O6Zr3 MolecularWeight: 982.46784

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C9H7.3C7H6O2.3Zr/c3*1-2-5-9-7-3-6-8(9)4-1;3*8-7(9)6-4-2-1-3-5-6;;;/h3*1-7H;3*1-5H,(H,8,9);;;/q3*-1;;;;3*+2/p-3