bis[tert-butyl-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]azaniumylidene]zirconium

Systemtic Name: bis[tert-butyl-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]azaniumylidene]zirconium Openeye Name: bis[tert-butyl-[(3,5-ditert-butyl-2-hydroxy-phenyl)methyl]iminio]zirconium CAS Name: bis[tert-butyl-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]iminio]zirconium IUPAC Name: bis[tert-butyl-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]azaniumylidene]zirconium Traditional Name: bis[tert-butyl-(3,5-ditert-butyl-2-hydroxy-benzyl)iminio]zirconium Formula: C38H64N2O2Zr+2 MolecularWeight: 672.15096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C[N+](=[Zr]=[N+](CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C[N+](=[Zr]=[N+](CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/2C19H32NO.Zr/c2*1-17(2,3)14-10-13(12-20-19(7,8)9)16(21)15(11-14)18(4,5)6;/h2*10-11,21H,12H2,1-9H3;/q2*-1;+4