bis(chloranyl)titanium; (6E)-2,4-ditert-butyl-6-(phenylhydrazinylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: bis(chloranyl)titanium; (6E)-2,4-ditert-butyl-6-(phenylhydrazinylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2,4-ditert-butyl-6-(phenylhydrazono)cyclohexa-2,4-dien-1-one; dichlorotitanium CAS Name: (6E)-2,4-ditert-butyl-6-(phenylhydrazinylidene)-1-cyclohexa-2,4-dienone; dichlorotitanium IUPAC Name: (6E)-2,4-ditert-butyl-6-(phenylhydrazinylidene)cyclohexa-2,4-dien-1-one; dichlorotitanium Traditional Name: (6E)-2,4-ditert-butyl-6-(phenylhydrazono)cyclohexa-2,4-dien-1-one; dichlorotitanium Formula: C40H52Cl2N4O2Ti MolecularWeight: 739.63948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NNC2=CC=CC=C2)C(=O)C(=C1)C(C)(C)C.CC(C)(C)C1=CC(=NNC2=CC=CC=C2)C(=O)C(=C1)C(C)(C)C.Cl[Ti]Cl

Isomeric SMILES

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

InChI

InChI=1S/2C20H26N2O.2ClH.Ti/c2*1-19(2,3)14-12-16(20(4,5)6)18(23)17(13-14)22-21-15-10-8-7-9-11-15;;;/h2*7-13,21H,1-6H3;2*1H;/q;;;;+2/p-2/b2*22-17+;;;