1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(2+)

Systemtic Name: 1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(2+) Openeye Name: 1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(2+) CAS Name: 1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(2+) IUPAC Name: 1H-inden-1-ide; 4-methylbenzenesulfonate; zirconium(2+) Traditional Name: 1H-inden-1-ide; zirconium(2+); ditosylate Formula: C32H28O6S2Zr-2 MolecularWeight: 663.91512

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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-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Zr+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Zr+2]

InChI

InChI=1S/2C9H7.2C7H8O3S.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*1-7H;2*2-5H,1H3,(H,8,9,10);/q2*-1;;;+2/p-2