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

Systemtic Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(4+) Openeye Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(4+) CAS Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(4+) IUPAC Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(4+) Traditional Name: 2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide; zirconium(4+); ditosylate Formula: C34H30O6S2Zr MolecularWeight: 689.9524

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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=C1CCC3=CC4=CC=CC=C4[CH-]3.[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=C1CCC3=CC4=CC=CC=C4[CH-]3.[Zr+4]

InChI

InChI=1S/C20H16.2C7H8O3S.Zr/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16;2*1-6-2-4-7(5-3-6)11(8,9)10;/h1-8,11-14H,9-10H2;2*2-5H,1H3,(H,8,9,10);/q-2;;;+4/p-2