1-cyclopenta-1,4-dien-1-yl-3-methoxy-benzene; zirconium(2+); dichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-3-methoxy-benzene; zirconium(2+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-yl-3-methoxy-benzene; zirconium(2+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)-3-methoxybenzene; zirconium(2+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-3-methoxybenzene; zirconium(2+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-yl-3-methoxy-benzene; zirconium(2+); dichloride Formula: C24H22Cl2O2Zr-2 MolecularWeight: 504.56028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=[C-]CC=C2.COC1=CC=CC(=C1)C2=[C-]CC=C2.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

COC1=CC=CC(=C1)C2=[C-]CC=C2.COC1=CC=CC(=C1)C2=[C-]CC=C2.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C12H11O.2ClH.Zr/c2*1-13-12-8-4-7-11(9-12)10-5-2-3-6-10;;;/h2*2,4-5,7-9H,3H2,1H3;2*1H;/q2*-1;;;+2/p-2