2-methylcyclopenta-1,3-diene; phenylcarbonylazanide; titanium(3+); dichloride

Systemtic Name: 2-methylcyclopenta-1,3-diene; phenylcarbonylazanide; titanium(3+); dichloride Openeye Name: benzoylazanide; 2-methylcyclopenta-1,3-diene; titanium(3+); dichloride CAS Name: benzoylazanide; 2-methylcyclopenta-1,3-diene; titanium(3+); dichloride IUPAC Name: benzoylazanide; 2-methylcyclopenta-1,3-diene; titanium(3+); dichloride Traditional Name: benzoylazanide; 2-methylcyclopenta-1,3-diene; titanium(3+); dichloride Formula: C20H19Cl2N2O2Ti-2 MolecularWeight: 438.15006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.C1=CC=C(C=C1)C(=O)[NH-].C1=CC=C(C=C1)C(=O)[NH-].[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC1=[C-]CC=C1.C1=CC=C(C=C1)C(=O)[NH-].C1=CC=C(C=C1)C(=O)[NH-].[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/2C7H7NO.C6H7.2ClH.Ti/c2*8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-6;;;/h2*1-5H,(H2,8,9);2,4H,3H2,1H3;2*1H;/q;;-1;;;+3/p-4