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

Systemtic Name: benzenesulfonate; cyclopenta-1,3-diene; zirconium(4+) Openeye Name: benzenesulfonate; cyclopenta-1,3-diene; zirconium(4+) CAS Name: benzenesulfonate; cyclopenta-1,3-diene; zirconium(4+) IUPAC Name: benzenesulfonate; cyclopenta-1,3-diene; zirconium(4+) Traditional Name: cyclopenta-1,3-diene; zirconium(4+); dibesylate Formula: C22H20O6S2Zr MolecularWeight: 535.7446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H6O3S.2C5H5.Zr/c2*7-10(8,9)6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h2*1-5H,(H,7,8,9);2*1-3H,4H2;/q;;2*-1;+4/p-2