2-[1H-inden-1-id-2-yl(diphenyl)methyl]-1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(4+)

Systemtic Name: 2-[1H-inden-1-id-2-yl(diphenyl)methyl]-1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(4+) Openeye Name: 2-[1H-inden-1-id-2-yl(diphenyl)methyl]-1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(4+) CAS Name: 2-[1H-inden-1-id-2-yl(diphenyl)methyl]-1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(4+) IUPAC Name: 2-[1H-inden-1-id-2-yl(diphenyl)methyl]-1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(4+) Traditional Name: 2-[1H-inden-1-id-2-yl(diphenyl)methyl]-1H-inden-1-ide; zirconium(4+); ditosylate Formula: C45H36O6S2Zr MolecularWeight: 828.11774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[CH-]1C2=CC=CC=C2C=C1C(C3=CC4=CC=CC=C4[CH-]3)(C5=CC=CC=C5)C6=CC=CC=C6.[Zr+4]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[CH-]1C2=CC=CC=C2C=C1C(C3=CC4=CC=CC=C4[CH-]3)(C5=CC=CC=C5)C6=CC=CC=C6.[Zr+4]

InChI

InChI=1S/C31H22.2C7H8O3S.Zr/c1-3-15-27(16-4-1)31(28-17-5-2-6-18-28,29-19-23-11-7-8-12-24(23)20-29)30-21-25-13-9-10-14-26(25)22-30;2*1-6-2-4-7(5-3-6)11(8,9)10;/h1-22H;2*2-5H,1H3,(H,8,9,10);/q-2;;;+4/p-2