bis(chloranyl)zirconium; 3,5-ditert-butyl-N-methyl-2-oxidanyl-N-phenyl-benzamide; 3,5-ditert-butyl-N-methyl-N-phenyl-benzene-6-ide-1-carboxamide

Systemtic Name: bis(chloranyl)zirconium; 3,5-ditert-butyl-N-methyl-2-oxidanyl-N-phenyl-benzamide; 3,5-ditert-butyl-N-methyl-N-phenyl-benzene-6-ide-1-carboxamide Openeye Name: 3,5-ditert-butyl-2-hydroxy-N-methyl-N-phenyl-benzamide; 3,5-ditert-butyl-N-methyl-N-phenyl-benzene-6-ide-1-carboxamide; dichlorozirconium CAS Name: 3,5-ditert-butyl-2-hydroxy-N-methyl-N-phenylbenzamide; 3,5-ditert-butyl-N-methyl-N-phenyl-1-benzene-6-idecarboxamide; dichlorozirconium IUPAC Name: 3,5-ditert-butyl-2-hydroxy-N-methyl-N-phenylbenzamide; 3,5-ditert-butyl-N-methyl-N-phenylbenzene-6-ide-1-carboxamide; dichlorozirconium Traditional Name: 3,5-ditert-butyl-2-hydroxy-N-methyl-N-phenyl-benzamide; 3,5-ditert-butyl-N-methyl-N-phenyl-benzene-6-ide-1-carboxamide; dichlorozirconium Formula: C44H57Cl2N2O3Zr- MolecularWeight: 824.06498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[C-]C(=C1)C(C)(C)C)C(=O)N(C)C2=CC=CC=C2.CC(C)(C)C1=CC(=C(C(=C1)C(=O)N(C)C2=CC=CC=C2)O)C(C)(C)C.Cl[Zr]Cl

Isomeric SMILES

CC(C)(C)C1=CC(=[C-]C(=C1)C(C)(C)C)C(=O)N(C)C2=CC=CC=C2.CC(C)(C)C1=CC(=C(C(=C1)C(=O)N(C)C2=CC=CC=C2)O)C(C)(C)C.Cl[Zr]Cl

InChI

InChI=1S/C22H29NO2.C22H28NO.2ClH.Zr/c1-21(2,3)15-13-17(19(24)18(14-15)22(4,5)6)20(25)23(7)16-11-9-8-10-12-16;1-21(2,3)17-13-16(14-18(15-17)22(4,5)6)20(24)23(7)19-11-9-8-10-12-19;;;/h8-14,24H,1-7H3;8-13,15H,1-7H3;2*1H;/q;-1;;;+2/p-2