benzene; 1H-phosphole; 1,2,3,5-tetramethyl-5-propan-2-yl-cyclopenta-1,3-diene; zirconium; dichloride

Systemtic Name: benzene; 1H-phosphole; 1,2,3,5-tetramethyl-5-propan-2-yl-cyclopenta-1,3-diene; zirconium; dichloride Openeye Name: benzene; 1H-phosphole; 1,2,3,5-tetramethyl-5-(1-methylethyl)cyclopenta-1,3-diene; zirconium; dichloride CAS Name: benzene; 1H-phosphole; 1,2,3,5-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene; zirconium; dichloride IUPAC Name: benzene; 1H-phosphole; 1,2,3,5-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene; zirconium; dichloride Traditional Name: benzene; 1H-phosphole; 1,2,3,5-tetramethyl-5-(1-methylethyl)cyclopenta-1,3-diene; zirconium; dichloride Formula: C34H38Cl2PZr-7 MolecularWeight: 639.769281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)[C-](C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CPC=C1.[Cl-].[Cl-].[Zr]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)[C-](C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CPC=C1.[Cl-].[Cl-].[Zr]

InChI

InChI=1S/C12H18.3C6H5.C4H5P.2ClH.Zr/c1-8(2)12(6)7-9(3)10(4)11(12)5;3*1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-6H3;3*1-5H;1-5H;2*1H;/q-2;3*-1;;;;/p-2