bis(chloranyl)zirconium; (6Z)-2,4-ditert-butyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: bis(chloranyl)zirconium; (6Z)-2,4-ditert-butyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-(anilinomethylene)-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one; dichlorozirconium CAS Name: (6Z)-6-(anilinomethylidene)-2,4-ditert-butyl-1-cyclohexa-2,4-dienone; dichlorozirconium IUPAC Name: (6Z)-6-(anilinomethylidene)-2,4-ditert-butylcyclohexa-2,4-dien-1-one; dichlorozirconium Traditional Name: (6Z)-6-(anilinomethylene)-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one; dichlorozirconium Formula: C21H27Cl2NOZr MolecularWeight: 471.57518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNC2=CC=CC=C2)C(=O)C(=C1)C(C)(C)C.Cl[Zr]Cl

Isomeric SMILES

CC(C)(C)C1=C/C(=C/NC2=CC=CC=C2)/C(=O)C(=C1)C(C)(C)C.Cl[Zr]Cl

InChI

InChI=1S/C21H27NO.2ClH.Zr/c1-20(2,3)16-12-15(14-22-17-10-8-7-9-11-17)19(23)18(13-16)21(4,5)6;;;/h7-14,22H,1-6H3;2*1H;/q;;;+2/p-2/b15-14-;;;