bis(chloranyl)zirconium(2+); 2-(3,5-ditert-butyl-4-methoxy-phenyl)indene

Systemtic Name: bis(chloranyl)zirconium(2+); 2-(3,5-ditert-butyl-4-methoxy-phenyl)indene Openeye Name: 2-(3,5-ditert-butyl-4-methoxy-phenyl)indene; dichlorozirconium(2+) CAS Name: 2-(3,5-ditert-butyl-4-methoxyphenyl)indene; dichlorozirconium(2+) IUPAC Name: 2-(3,5-ditert-butyl-4-methoxyphenyl)indene; dichlorozirconium(2+) Traditional Name: 2-(3,5-ditert-butyl-4-methoxy-phenyl)indene; dichlorozirconium(2+) Formula: C48H58Cl2O2Zr+2 MolecularWeight: 829.10292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)[C]2[CH][C]3C=CC=C[C]3[CH]2.CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)[C]2[CH][C]3C=CC=C[C]3[CH]2.Cl[Zr+2]Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)[C]2[CH][C]3C=CC=C[C]3[CH]2.CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)[C]2[CH][C]3C=CC=C[C]3[CH]2.Cl[Zr+2]Cl

InChI

InChI=1S/2C24H29O.2ClH.Zr/c2*1-23(2,3)20-14-19(15-21(22(20)25-7)24(4,5)6)18-12-16-10-8-9-11-17(16)13-18;;;/h2*8-15H,1-7H3;2*1H;/q;;;;+4/p-2