pyrrol-1-ide; 1,2,3,5-tetramethyl-5-propan-2-yl-cyclopenta-1,3-diene; zirconium(3+); dichloride

Systemtic Name: pyrrol-1-ide; 1,2,3,5-tetramethyl-5-propan-2-yl-cyclopenta-1,3-diene; zirconium(3+); dichloride Openeye Name: pyrrol-1-ide; 1,2,3,5-tetramethyl-5-(1-methylethyl)cyclopenta-1,3-diene; zirconium(3+); dichloride CAS Name: pyrrol-1-ide; 1,2,3,5-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene; zirconium(3+); dichloride IUPAC Name: pyrrol-1-ide; 1,2,3,5-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene; zirconium(3+); dichloride Traditional Name: pyrrol-1-ide; 1,2,3,5-tetramethyl-5-(1-methylethyl)cyclopenta-1,3-diene; zirconium(3+); dichloride Formula: C16H22Cl2NZr-2 MolecularWeight: 390.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)[C-](C)C.C1=C[N-]C=C1.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)[C-](C)C.C1=C[N-]C=C1.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C12H18.C4H4N.2ClH.Zr/c1-8(2)12(6)7-9(3)10(4)11(12)5;1-2-4-5-3-1;;;/h1-6H3;1-4H;2*1H;/q-2;-1;;;+3/p-2