2,4-ditert-butyl-6-[[(phenylmethylidene)amino]methyl]phenol; methanidylbenzene; zirconium

Systemtic Name: 2,4-ditert-butyl-6-[[(phenylmethylidene)amino]methyl]phenol; methanidylbenzene; zirconium Openeye Name: 2-[(benzylideneamino)methyl]-4,6-ditert-butyl-phenol; methanidylbenzene; zirconium CAS Name: 2,4-ditert-butyl-6-[[(phenylmethylene)amino]methyl]phenol; methanidylbenzene; zirconium IUPAC Name: 2-[(benzylideneamino)methyl]-4,6-ditert-butylphenol; methanidylbenzene; zirconium Traditional Name: 2-[(benzalamino)methyl]-4,6-ditert-butyl-phenol; methanidylbenzene; zirconium Formula: C58H72N2O2Zr-2 MolecularWeight: 920.42848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN=CC2=CC=CC=C2.CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN=CC2=CC=CC=C2.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN=CC2=CC=CC=C2.CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN=CC2=CC=CC=C2.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

InChI

InChI=1S/2C22H29NO.2C7H7.Zr/c2*1-21(2,3)18-12-17(20(24)19(13-18)22(4,5)6)15-23-14-16-10-8-7-9-11-16;2*1-7-5-3-2-4-6-7;/h2*7-14,24H,15H2,1-6H3;2*2-6H,1H2;/q;;2*-1;