1-methyl-1,2-dihydroinden-2-ide; zirconium(2+); zirconium(4+); tribenzoate

Systemtic Name: 1-methyl-1,2-dihydroinden-2-ide; zirconium(2+); zirconium(4+); tribenzoate Openeye Name: 1-methyl-1,2-dihydroinden-2-ide; zirconium(2+); zirconium(4+); tribenzoate CAS Name: 1-methyl-1,2-dihydroinden-2-ide; zirconium(2+); zirconium(4+); tribenzoate IUPAC Name: 1-methyl-1,2-dihydroinden-2-ide; zirconium(2+); zirconium(4+); tribenzoate Traditional Name: 1-methyl-1,2-dihydroinden-2-ide; zirconium(2+); zirconium(4+); tribenzoate Formula: C31H24O6Zr2+2 MolecularWeight: 674.96666

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Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=CC2=CC=CC=C12.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+4]

Isomeric SMILES

CC1[C-]=CC2=CC=CC=C12.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+4]

InChI

InChI=1S/C10H9.3C7H6O2.2Zr/c1-8-6-7-9-4-2-3-5-10(8)9;3*8-7(9)6-4-2-1-3-5-6;;/h2-5,7-8H,1H3;3*1-5H,(H,8,9);;/q-1;;;;+2;+4/p-3