bis(chloranyl)zirconium; (6Z)-2-tert-butyl-4-methyl-6-[(3-methylbutylamino)methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: bis(chloranyl)zirconium; (6Z)-2-tert-butyl-4-methyl-6-[(3-methylbutylamino)methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2-tert-butyl-6-[(isopentylamino)methylene]-4-methyl-cyclohexa-2,4-dien-1-one; dichlorozirconium CAS Name: (6Z)-2-tert-butyl-4-methyl-6-[(3-methylbutylamino)methylidene]-1-cyclohexa-2,4-dienone; dichlorozirconium IUPAC Name: (6Z)-2-tert-butyl-4-methyl-6-[(3-methylbutylamino)methylidene]cyclohexa-2,4-dien-1-one; dichlorozirconium Traditional Name: (6Z)-2-tert-butyl-6-[(isoamylamino)methylene]-4-methyl-cyclohexa-2,4-dien-1-one; dichlorozirconium Formula: C17H27Cl2NOZr MolecularWeight: 423.53238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO.2ClH.Zr/c1-12(2)7-8-18-11-14-9-13(3)10-15(16(14)19)17(4,5)6;;;/h9-12,18H,7-8H2,1-6H3;2*1H;/q;;;+2/p-2/b14-11-;;;