1,2-diethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride

Systemtic Name: 1,2-diethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride Openeye Name: 1,2-diethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride CAS Name: 1,2-diethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride IUPAC Name: 1,2-diethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride Traditional Name: 1,2-diethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride Formula: C39H57Cl3Ti3 MolecularWeight: 775.82988

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Descriptors Computed from Structure

Canonical SMILES:

CC[C-]1C2=C(CCCC2)C=C1CC.CC[C-]1C2=C(CCCC2)C=C1CC.CC[C-]1C2=C(CCCC2)C=C1CC.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CC[C-]1C2=C(CCCC2)C=C1CC.CC[C-]1C2=C(CCCC2)C=C1CC.CC[C-]1C2=C(CCCC2)C=C1CC.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C13H19.3ClH.3Ti/c3*1-3-10-9-11-7-5-6-8-13(11)12(10)4-2;;;;;;/h3*9H,3-8H2,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3