4,5-diethyl-7-phenyl-1H-inden-1-ide; titanium(2+); trichloride

Systemtic Name: 4,5-diethyl-7-phenyl-1H-inden-1-ide; titanium(2+); trichloride Openeye Name: 4,5-diethyl-7-phenyl-1H-inden-1-ide; titanium(2+); trichloride CAS Name: 4,5-diethyl-7-phenyl-1H-inden-1-ide; titanium(2+); trichloride IUPAC Name: 4,5-diethyl-7-phenyl-1H-inden-1-ide; titanium(2+); trichloride Traditional Name: 4,5-diethyl-7-phenyl-1H-inden-1-ide; titanium(2+); trichloride Formula: C57H57Cl3Ti3 MolecularWeight: 992.02248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]C=C2)C(=C1)C3=CC=CC=C3)CC.CCC1=C(C2=C([CH-]C=C2)C(=C1)C3=CC=CC=C3)CC.CCC1=C(C2=C([CH-]C=C2)C(=C1)C3=CC=CC=C3)CC.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CCC1=C(C2=C([CH-]C=C2)C(=C1)C3=CC=CC=C3)CC.CCC1=C(C2=C([CH-]C=C2)C(=C1)C3=CC=CC=C3)CC.CCC1=C(C2=C([CH-]C=C2)C(=C1)C3=CC=CC=C3)CC.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C19H19.3ClH.3Ti/c3*1-3-14-13-19(15-9-6-5-7-10-15)18-12-8-11-17(18)16(14)4-2;;;;;;/h3*5-13H,3-4H2,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3