2-butyl-5-methyl-cyclopenta-1,3-diene; methanolate; zirconium(4+)

Systemtic Name: 2-butyl-5-methyl-cyclopenta-1,3-diene; methanolate; zirconium(4+) Openeye Name: 2-butyl-5-methyl-cyclopenta-1,3-diene; methanolate; zirconium(4+) CAS Name: 2-butyl-5-methylcyclopenta-1,3-diene; methanolate; zirconium(4+) IUPAC Name: 2-butyl-5-methylcyclopenta-1,3-diene; methanolate; zirconium(4+) Traditional Name: 2-butyl-5-methyl-cyclopenta-1,3-diene; methanolate; zirconium(4+) Formula: C22H36O2Zr MolecularWeight: 423.74404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[C-](C=C1)C.CCCCC1=C[C-](C=C1)C.C[O-].C[O-].[Zr+4]

Isomeric SMILES

CCCCC1=C[C-](C=C1)C.CCCCC1=C[C-](C=C1)C.C[O-].C[O-].[Zr+4]

InChI

InChI=1S/2C10H15.2CH3O.Zr/c2*1-3-4-5-10-7-6-9(2)8-10;2*1-2;/h2*6-8H,3-5H2,1-2H3;2*1H3;/q4*-1;+4