1-(1-cyclopenta-1,3-dien-1-ylethyl)-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride

Systemtic Name: 1-(1-cyclopenta-1,3-dien-1-ylethyl)-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride Openeye Name: 1-(1-cyclopenta-1,3-dien-1-ylethyl)-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride CAS Name: 1-[1-(1-cyclopenta-1,3-dienyl)ethyl]-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride IUPAC Name: 1-(1-cyclopenta-1,3-dien-1-ylethyl)-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride Traditional Name: 7-amyl-1-(1-cyclopenta-1,3-dien-1-ylethyl)-4-methyl-1H-indene; zirconium(2+); dichloride Formula: C22H28Cl2Zr MolecularWeight: 454.58772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(C=CC2=C(C=C1)C)C(C)C3=CC=CC3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCCCCC1=C2C(C=CC2=C(C=C1)C)C(C)C3=CC=CC3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C22H28.2ClH.Zr/c1-4-5-6-11-19-13-12-16(2)20-14-15-21(22(19)20)17(3)18-9-7-8-10-18;;;/h7-9,12-15,17,21H,4-6,10-11H2,1-3H3;2*1H;/q;;;+2/p-2