tert-butylazanide; (2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene; propane; titanium(3+); dichloride

Systemtic Name: tert-butylazanide; (2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene; propane; titanium(3+); dichloride Openeye Name: tert-butylazanide; (2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene; propane; titanium(3+); dichloride CAS Name: tert-butylazanide; (2,3-dimethyl-1-cyclopenta-1,3-dienyl)benzene; propane; titanium(3+); dichloride IUPAC Name: tert-butylazanide; (2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene; propane; titanium(3+); dichloride Traditional Name: tert-butylazanide; (2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene; propane; titanium(3+); dichloride Formula: C20H30Cl2NTi-2 MolecularWeight: 403.2319

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.CC1=CCC(=C1C)C2=CC=CC=[C-]2.CC(C)(C)[NH-].[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C[CH-]C.CC1=CCC(=C1C)C2=CC=CC=[C-]2.CC(C)(C)[NH-].[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C13H13.C4H10N.C3H7.2ClH.Ti/c1-10-8-9-13(11(10)2)12-6-4-3-5-7-12;1-4(2,3)5;1-3-2;;;/h3-6,8H,9H2,1-2H3;5H,1-3H3;3H,1-2H3;2*1H;/q3*-1;;;+3/p-2