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

Systemtic Name: 4,5-diethyl-1H-inden-1-ide; titanium(2+); trichloride Openeye Name: 4,5-diethyl-1H-inden-1-ide; titanium(2+); trichloride CAS Name: 4,5-diethyl-1H-inden-1-ide; titanium(2+); trichloride IUPAC Name: 4,5-diethyl-1H-inden-1-ide; titanium(2+); trichloride Traditional Name: 4,5-diethyl-1H-inden-1-ide; titanium(2+); trichloride Formula: C39H45Cl3Ti3 MolecularWeight: 763.7346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C13H15.3ClH.3Ti/c3*1-3-10-8-9-11-6-5-7-13(11)12(10)4-2;;;;;;/h3*5-9H,3-4H2,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3