4,7-diphenyl-1H-inden-1-ide; titanium(2+); trichloride

Systemtic Name: 4,7-diphenyl-1H-inden-1-ide; titanium(2+); trichloride Openeye Name: 4,7-diphenyl-1H-inden-1-ide; titanium(2+); trichloride CAS Name: 4,7-diphenyl-1H-inden-1-ide; titanium(2+); trichloride IUPAC Name: 4,7-diphenyl-1H-inden-1-ide; titanium(2+); trichloride Traditional Name: 4,7-diphenyl-1H-inden-1-ide; titanium(2+); trichloride Formula: C63H45Cl3Ti3 MolecularWeight: 1051.9914

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC2=C(C=CC(=C21)C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=CC2=C(C=CC(=C21)C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=CC2=C(C=CC(=C21)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

[CH-]1C=CC2=C(C=CC(=C21)C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=CC2=C(C=CC(=C21)C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C=CC2=C(C=CC(=C21)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C21H15.3ClH.3Ti/c3*1-3-8-16(9-4-1)18-14-15-19(17-10-5-2-6-11-17)21-13-7-12-20(18)21;;;;;;/h3*1-15H;3*1H;;;/q3*-1;;;;3*+2/p-3