2-butyl-3-methyl-cyclopenta-1,3-diene; methanesulfonate; zirconium(4+)

Systemtic Name: 2-butyl-3-methyl-cyclopenta-1,3-diene; methanesulfonate; zirconium(4+) Openeye Name: 2-butyl-3-methyl-cyclopenta-1,3-diene; methanesulfonate; zirconium(4+) CAS Name: 2-butyl-3-methylcyclopenta-1,3-diene; methanesulfonate; zirconium(4+) IUPAC Name: 2-butyl-3-methylcyclopenta-1,3-diene; methanesulfonate; zirconium(4+) Traditional Name: 2-butyl-3-methyl-cyclopenta-1,3-diene; zirconium(4+); dimesylate Formula: C22H36O6S2Zr MolecularWeight: 551.87164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1C.CCCCC1=[C-]CC=C1C.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Zr+4]

Isomeric SMILES

CCCCC1=[C-]CC=C1C.CCCCC1=[C-]CC=C1C.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Zr+4]

InChI

InChI=1S/2C10H15.2CH4O3S.Zr/c2*1-3-4-7-10-8-5-6-9(10)2;2*1-5(2,3)4;/h2*6H,3-5,7H2,1-2H3;2*1H3,(H,2,3,4);/q2*-1;;;+4/p-2