chloranylethane; 2,7-ditert-butyl-9-(2-methylphenyl)fluoren-9-ide; zirconium(2+)

Systemtic Name: chloranylethane; 2,7-ditert-butyl-9-(2-methylphenyl)fluoren-9-ide; zirconium(2+) Openeye Name: chloroethane; 2,7-ditert-butyl-9-(o-tolyl)fluoren-9-ide; zirconium(2+) CAS Name: chloroethane; 2,7-ditert-butyl-9-(2-methylphenyl)fluoren-9-ide; zirconium(2+) IUPAC Name: chloroethane; 2,7-ditert-butyl-9-(2-methylphenyl)fluoren-9-ide; zirconium(2+) Traditional Name: chloroethane; 2,7-ditert-butyl-9-(o-tolyl)fluoren-9-ide; zirconium(2+) Formula: C58H67ClZr2+2 MolecularWeight: 982.05358

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Descriptors Computed from Structure

Canonical SMILES:

CCCl.CC1=CC=CC=C1[C-]2C3=C(C=CC(=C3)C(C)(C)C)C4=C2C=C(C=C4)C(C)(C)C.CC1=CC=CC=C1[C-]2C3=C(C=CC(=C3)C(C)(C)C)C4=C2C=C(C=C4)C(C)(C)C.[Zr+2].[Zr+2]

Isomeric SMILES

CCCl.CC1=CC=CC=C1[C-]2C3=C(C=CC(=C3)C(C)(C)C)C4=C2C=C(C=C4)C(C)(C)C.CC1=CC=CC=C1[C-]2C3=C(C=CC(=C3)C(C)(C)C)C4=C2C=C(C=C4)C(C)(C)C.[Zr+2].[Zr+2]

InChI

InChI=1S/2C28H31.C2H5Cl.2Zr/c2*1-18-10-8-9-11-21(18)26-24-16-19(27(2,3)4)12-14-22(24)23-15-13-20(17-25(23)26)28(5,6)7;1-2-3;;/h2*8-17H,1-7H3;2H2,1H3;;/q2*-1;;2*+2