2,3-dimethylcyclopenta-1,3-diene; methanesulfonate; zirconium(2+)

Systemtic Name: 2,3-dimethylcyclopenta-1,3-diene; methanesulfonate; zirconium(2+) Openeye Name: 2,3-dimethylcyclopenta-1,3-diene; methanesulfonate; zirconium(2+) CAS Name: 2,3-dimethylcyclopenta-1,3-diene; methanesulfonate; zirconium(2+) IUPAC Name: 2,3-dimethylcyclopenta-1,3-diene; methanesulfonate; zirconium(2+) Traditional Name: 2,3-dimethylcyclopenta-1,3-diene; zirconium(2+); dimesylate Formula: C16H24O6S2Zr-2 MolecularWeight: 467.71216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C.CC1=CC[C-]=C1C.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Zr+2]

Isomeric SMILES

CC1=CC[C-]=C1C.CC1=CC[C-]=C1C.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Zr+2]

InChI

InChI=1S/2C7H9.2CH4O3S.Zr/c2*1-6-4-3-5-7(6)2;2*1-5(2,3)4;/h2*4H,3H2,1-2H3;2*1H3,(H,2,3,4);/q2*-1;;;+2/p-2