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

Systemtic Name: 1-(5-ethylcyclopenta-1,4-dien-1-yl)-4-methyl-benzene; zirconium(4+); dichloride Openeye Name: 1-(5-ethylcyclopenta-1,4-dien-1-yl)-4-methyl-benzene; zirconium(4+); dichloride CAS Name: 1-(5-ethyl-1-cyclopenta-1,4-dienyl)-4-methylbenzene; zirconium(4+); dichloride IUPAC Name: 1-(5-ethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene; zirconium(4+); dichloride Traditional Name: 1-(5-ethylcyclopenta-1,4-dien-1-yl)-4-methyl-benzene; zirconium(4+); dichloride Formula: C28H30Cl2Zr MolecularWeight: 528.6678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC[C-]=C1C2=CC=C(C=C2)C.CCC1=CC[C-]=C1C2=CC=C(C=C2)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC[C-]=C1C2=CC=C(C=C2)C.CCC1=CC[C-]=C1C2=CC=C(C=C2)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C14H15.2ClH.Zr/c2*1-3-12-5-4-6-14(12)13-9-7-11(2)8-10-13;;;/h2*5,7-10H,3-4H2,1-2H3;2*1H;/q2*-1;;;+4/p-2