2-ethyl-1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride

Systemtic Name: 2-ethyl-1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride Openeye Name: 2-ethyl-1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride CAS Name: 2-ethyl-1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride IUPAC Name: 2-ethyl-1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride Traditional Name: 2-ethyl-1,3-dimethyl-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:

CCC1=C(C2=C([C-]1C)CCCC2)C.CCC1=C(C2=C([C-]1C)CCCC2)C.CCC1=C(C2=C([C-]1C)CCCC2)C.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CCC1=C(C2=C([C-]1C)CCCC2)C.CCC1=C(C2=C([C-]1C)CCCC2)C.CCC1=C(C2=C([C-]1C)CCCC2)C.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

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