1-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)benzene; zirconium(4+); dichloride

Systemtic Name: 1-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)benzene; zirconium(4+); dichloride Openeye Name: 1-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)benzene; zirconium(4+); dichloride CAS Name: 1-methyl-4-(5-methyl-1-cyclopenta-1,4-dienyl)benzene; zirconium(4+); dichloride IUPAC Name: 1-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)benzene; zirconium(4+); dichloride Traditional Name: 1-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)benzene; zirconium(4+); dichloride Formula: C26H26Cl2Zr MolecularWeight: 500.61464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C2=CC=C(C=C2)C.CC1=CC[C-]=C1C2=CC=C(C=C2)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC[C-]=C1C2=CC=C(C=C2)C.CC1=CC[C-]=C1C2=CC=C(C=C2)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C13H13.2ClH.Zr/c2*1-10-6-8-12(9-7-10)13-5-3-4-11(13)2;;;/h2*4,6-9H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2