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

Systemtic Name: bis(chloranyl)zirconium; (6Z)-2-tert-butyl-4-methyl-6-[(2-methylpropylamino)methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2-tert-butyl-6-[(isobutylamino)methylene]-4-methyl-cyclohexa-2,4-dien-1-one; dichlorozirconium CAS Name: (6Z)-2-tert-butyl-4-methyl-6-[(2-methylpropylamino)methylidene]-1-cyclohexa-2,4-dienone; dichlorozirconium IUPAC Name: (6Z)-2-tert-butyl-4-methyl-6-[(2-methylpropylamino)methylidene]cyclohexa-2,4-dien-1-one; dichlorozirconium Traditional Name: (6Z)-2-tert-butyl-6-[(isobutylamino)methylene]-4-methyl-cyclohexa-2,4-dien-1-one; dichlorozirconium Formula: C16H25Cl2NOZr MolecularWeight: 409.5058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO.2ClH.Zr/c1-11(2)9-17-10-13-7-12(3)8-14(15(13)18)16(4,5)6;;;/h7-8,10-11,17H,9H2,1-6H3;2*1H;/q;;;+2/p-2/b13-10-;;;