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

Systemtic Name: bis(chloranyl)zirconium; (6E)-2-tert-butyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(anilinomethylene)-2-tert-butyl-cyclohexa-2,4-dien-1-one; dichlorozirconium CAS Name: (6E)-6-(anilinomethylidene)-2-tert-butyl-1-cyclohexa-2,4-dienone; dichlorozirconium IUPAC Name: (6E)-6-(anilinomethylidene)-2-tert-butylcyclohexa-2,4-dien-1-one; dichlorozirconium Traditional Name: (6E)-6-(anilinomethylene)-2-tert-butyl-cyclohexa-2,4-dien-1-one; dichlorozirconium Formula: C34H38Cl2N2O2Zr MolecularWeight: 668.80772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H19NO.2ClH.Zr/c2*1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;;/h2*4-12,18H,1-3H3;2*1H;/q;;;;+2/p-2/b2*13-12+;;;