(3-methylcyclopenta-1,3-dien-1-yl)benzene; phenylazanide; propane; titanium(3+); dichloride

Systemtic Name: (3-methylcyclopenta-1,3-dien-1-yl)benzene; phenylazanide; propane; titanium(3+); dichloride Openeye Name: (3-methylcyclopenta-1,3-dien-1-yl)benzene; phenylazanide; propane; titanium(3+); dichloride CAS Name: (3-methyl-1-cyclopenta-1,3-dienyl)benzene; phenylazanide; propane; titanium(3+); dichloride IUPAC Name: (3-methylcyclopenta-1,3-dien-1-yl)benzene; phenylazanide; propane; titanium(3+); dichloride Traditional Name: (3-methylcyclopenta-1,3-dien-1-yl)benzene; phenylazanide; propane; titanium(3+); dichloride Formula: C21H24Cl2NTi-2 MolecularWeight: 409.19496

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.CC1=CCC(=C1)C2=CC=CC=[C-]2.C1=CC=C(C=C1)[NH-].[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C[CH-]C.CC1=CCC(=C1)C2=CC=CC=[C-]2.C1=CC=C(C=C1)[NH-].[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C12H11.C6H6N.C3H7.2ClH.Ti/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;7-6-4-2-1-3-5-6;1-3-2;;;/h2-5,7,9H,8H2,1H3;1-5,7H;3H,1-2H3;2*1H;/q3*-1;;;+3/p-2