cyclopenta-1,3-diene; 4-methylbenzenesulfonate; zirconium(4+)

Systemtic Name: cyclopenta-1,3-diene; 4-methylbenzenesulfonate; zirconium(4+) Openeye Name: cyclopenta-1,3-diene; 4-methylbenzenesulfonate; zirconium(4+) CAS Name: cyclopenta-1,3-diene; 4-methylbenzenesulfonate; zirconium(4+) IUPAC Name: cyclopenta-1,3-diene; 4-methylbenzenesulfonate; zirconium(4+) Traditional Name: cyclopenta-1,3-diene; zirconium(4+); ditosylate Formula: C24H24O6S2Zr MolecularWeight: 563.79776

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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-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+4]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+4]

InChI

InChI=1S/2C7H8O3S.2C5H5.Zr/c2*1-6-2-4-7(5-3-6)11(8,9)10;2*1-2-4-5-3-1;/h2*2-5H,1H3,(H,8,9,10);2*1-3H,4H2;/q;;2*-1;+4/p-2