1-methyl-3-[(3-methylphenyl)-[2-(phenylmethyl)cyclopenta-1,3-dien-1-yl]methyl]benzene; zirconium(2+)

Systemtic Name: 1-methyl-3-[(3-methylphenyl)-[2-(phenylmethyl)cyclopenta-1,3-dien-1-yl]methyl]benzene; zirconium(2+) Openeye Name: 1-[(2-benzylcyclopenta-1,3-dien-1-yl)-(m-tolyl)methyl]-3-methyl-benzene; zirconium(2+) CAS Name: 1-methyl-3-[(3-methylphenyl)-[2-(phenylmethyl)-1-cyclopenta-1,3-dienyl]methyl]benzene; zirconium(2+) IUPAC Name: 1-[(2-benzylcyclopenta-1,3-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene; zirconium(2+) Traditional Name: 1-[(2-benzylcyclopenta-1,3-dien-1-yl)-(m-tolyl)methyl]-3-methyl-benzene; zirconium(2+) Formula: C27H25Zr+ MolecularWeight: 440.7114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)[C-](C2=C(C=CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)C.[Zr+2]

Isomeric SMILES

CC1=CC=CC(=C1)[C-](C2=C(C=CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)C.[Zr+2]

InChI

InChI=1S/C27H25.Zr/c1-20-9-6-14-24(17-20)27(25-15-7-10-21(2)18-25)26-16-8-13-23(26)19-22-11-4-3-5-12-22;/h3-15,17-18H,16,19H2,1-2H3;/q-1;+2