cyclopenta-1,3-diene; 2-methanidylpyridine; titanium(2+); trichloride

Systemtic Name: cyclopenta-1,3-diene; 2-methanidylpyridine; titanium(2+); trichloride Openeye Name: cyclopenta-1,3-diene; 2-methanidylpyridine; titanium(2+); trichloride CAS Name: cyclopenta-1,3-diene; 2-methanidylpyridine; titanium(2+); trichloride IUPAC Name: cyclopenta-1,3-diene; 2-methanidylpyridine; titanium(2+); trichloride Traditional Name: cyclopenta-1,3-diene; 2-methanidylpyridine; titanium(2+); trichloride Formula: C33H33Cl3N3Ti3-3 MolecularWeight: 721.59522

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CC=CC=N1.[CH2-]C1=CC=CC=N1.[CH2-]C1=CC=CC=N1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

[CH2-]C1=CC=CC=N1.[CH2-]C1=CC=CC=N1.[CH2-]C1=CC=CC=N1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C6H6N.3C5H5.3ClH.3Ti/c3*1-6-4-2-3-5-7-6;3*1-2-4-5-3-1;;;;;;/h3*2-5H,1H2;3*1-3H,4H2;3*1H;;;/q6*-1;;;;3*+2/p-3