1,3-ditert-butylbenzene-2-ide; propanoylazanide; titanium(3+); dichloride

Systemtic Name: 1,3-ditert-butylbenzene-2-ide; propanoylazanide; titanium(3+); dichloride Openeye Name: 1,3-ditert-butylbenzene-2-ide; propanoylazanide; titanium(3+); dichloride CAS Name: 1,3-ditert-butylbenzene-2-ide; 1-oxopropylazanide; titanium(3+); dichloride IUPAC Name: 1,3-ditert-butylbenzene-2-ide; propanoylazanide; titanium(3+); dichloride Traditional Name: 1,3-ditert-butylbenzene-2-ide; propionylazanide; titanium(3+); dichloride Formula: C31H48Cl2NOTi-2 MolecularWeight: 569.49192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[NH-].CC(C)(C)C1=[C-]C(=CC=C1)C(C)(C)C.CC(C)(C)C1=[C-]C(=CC=C1)C(C)(C)C.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CCC(=O)[NH-].CC(C)(C)C1=[C-]C(=CC=C1)C(C)(C)C.CC(C)(C)C1=[C-]C(=CC=C1)C(C)(C)C.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/2C14H21.C3H7NO.2ClH.Ti/c2*1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-2-3(4)5;;;/h2*7-9H,1-6H3;2H2,1H3,(H2,4,5);2*1H;/q2*-1;;;;+3/p-3