bis(chloranyl)titanium; 3,5-ditert-butyl-N-ethyl-2-oxidanyl-N-phenyl-benzamide

Systemtic Name: bis(chloranyl)titanium; 3,5-ditert-butyl-N-ethyl-2-oxidanyl-N-phenyl-benzamide Openeye Name: 3,5-ditert-butyl-N-ethyl-2-hydroxy-N-phenyl-benzamide; dichlorotitanium CAS Name: 3,5-ditert-butyl-N-ethyl-2-hydroxy-N-phenylbenzamide; dichlorotitanium IUPAC Name: 3,5-ditert-butyl-N-ethyl-2-hydroxy-N-phenylbenzamide; dichlorotitanium Traditional Name: 3,5-ditert-butyl-N-ethyl-2-hydroxy-N-phenyl-benzamide; dichlorotitanium Formula: C46H62Cl2N2O4Ti MolecularWeight: 825.76848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C.CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C.Cl[Ti]Cl

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C.CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C.Cl[Ti]Cl

InChI

InChI=1S/2C23H31NO2.2ClH.Ti/c2*1-8-24(17-12-10-9-11-13-17)21(26)18-14-16(22(2,3)4)15-19(20(18)25)23(5,6)7;;;/h2*9-15,25H,8H2,1-7H3;2*1H;/q;;;;+2/p-2