2-(1H-inden-1-id-2-yl)-1H-pyrrole; titanium(2+); dichloride

Systemtic Name: 2-(1H-inden-1-id-2-yl)-1H-pyrrole; titanium(2+); dichloride Openeye Name: 2-(1H-inden-1-id-2-yl)-1H-pyrrole; titanium(2+); dichloride CAS Name: 2-(1H-inden-1-id-2-yl)-1H-pyrrole; titanium(2+); dichloride IUPAC Name: 2-(1H-inden-1-id-2-yl)-1H-pyrrole; titanium(2+); dichloride Traditional Name: 2-(1H-inden-1-id-2-yl)-1H-pyrrole; titanium(2+); dichloride Formula: C52H40Cl2N4Ti2-2 MolecularWeight: 887.5408

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C=C1C3=CC=CN3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CN3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CN3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CN3.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C=C1C3=CC=CN3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CN3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CN3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CN3.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/4C13H10N.2ClH.2Ti/c4*1-2-5-11-9-12(8-10(11)4-1)13-6-3-7-14-13;;;;/h4*1-9,14H;2*1H;;/q4*-1;;;2*+2/p-2