1-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride

Systemtic Name: 1-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride Openeye Name: 1-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride CAS Name: 1-[1-cyclopenta-1,3-dienyl(phenyl)methyl]-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride IUPAC Name: 1-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-4-methyl-7-pentyl-1H-indene; zirconium(2+); dichloride Traditional Name: 7-amyl-1-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-4-methyl-1H-indene; zirconium(2+); dichloride Formula: C27H30Cl2Zr MolecularWeight: 516.6571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(C=CC2=C(C=C1)C)C(C3=CC=CC3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCCCCC1=C2C(C=CC2=C(C=C1)C)C(C3=CC=CC3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C27H30.2ClH.Zr/c1-3-4-6-11-23-17-16-20(2)24-18-19-25(27(23)24)26(22-14-9-10-15-22)21-12-7-5-8-13-21;;;/h5,7-10,12-14,16-19,25-26H,3-4,6,11,15H2,1-2H3;2*1H;/q;;;+2/p-2