bis(chloranyl)zirconium; (6Z)-2-tert-butyl-6-[(cyclopentylamino)methylidene]-4-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: bis(chloranyl)zirconium; (6Z)-2-tert-butyl-6-[(cyclopentylamino)methylidene]-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2-tert-butyl-6-[(cyclopentylamino)methylene]-4-methyl-cyclohexa-2,4-dien-1-one; dichlorozirconium CAS Name: (6Z)-2-tert-butyl-6-[(cyclopentylamino)methylidene]-4-methyl-1-cyclohexa-2,4-dienone; dichlorozirconium IUPAC Name: (6Z)-2-tert-butyl-6-[(cyclopentylamino)methylidene]-4-methylcyclohexa-2,4-dien-1-one; dichlorozirconium Traditional Name: (6Z)-2-tert-butyl-6-[(cyclopentylamino)methylene]-4-methyl-cyclohexa-2,4-dien-1-one; dichlorozirconium Formula: C17H25Cl2NOZr MolecularWeight: 421.5165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNC2CCCC2)C(=O)C(=C1)C(C)(C)C.Cl[Zr]Cl

Isomeric SMILES

CC1=C/C(=C/NC2CCCC2)/C(=O)C(=C1)C(C)(C)C.Cl[Zr]Cl

InChI

InChI=1S/C17H25NO.2ClH.Zr/c1-12-9-13(11-18-14-7-5-6-8-14)16(19)15(10-12)17(2,3)4;;;/h9-11,14,18H,5-8H2,1-4H3;2*1H;/q;;;+2/p-2/b13-11-;;;