bis(chloranyl)zirconium; (6E)-2-tert-butyl-6-[[(2-propan-2-ylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: bis(chloranyl)zirconium; (6E)-2-tert-butyl-6-[[(2-propan-2-ylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-tert-butyl-6-[(2-isopropylanilino)methylene]cyclohexa-2,4-dien-1-one; dichlorozirconium CAS Name: (6E)-2-tert-butyl-6-[(2-propan-2-ylanilino)methylidene]-1-cyclohexa-2,4-dienone; dichlorozirconium IUPAC Name: (6E)-2-tert-butyl-6-[(2-propan-2-ylanilino)methylidene]cyclohexa-2,4-dien-1-one; dichlorozirconium Traditional Name: (6E)-2-tert-butyl-6-[(2-isopropylanilino)methylene]cyclohexa-2,4-dien-1-one; dichlorozirconium Formula: C40H50Cl2N2O2Zr MolecularWeight: 752.9672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC=C2C=CC=C(C2=O)C(C)(C)C.CC(C)C1=CC=CC=C1NC=C2C=CC=C(C2=O)C(C)(C)C.Cl[Zr]Cl

Isomeric SMILES

CC(C1=CC=CC=C1N/C=C\2/C(=O)C(=CC=C2)C(C)(C)C)C.CC(C1=CC=CC=C1N/C=C\2/C(=O)C(=CC=C2)C(C)(C)C)C.Cl[Zr]Cl

InChI

InChI=1S/2C20H25NO.2ClH.Zr/c2*1-14(2)16-10-6-7-12-18(16)21-13-15-9-8-11-17(19(15)22)20(3,4)5;;;/h2*6-14,21H,1-5H3;2*1H;/q;;;;+2/p-2/b2*15-13+;;;