4,5,6,7-tetramethyl-1H-inden-1-ide; titanium(2+); tribromide

Systemtic Name: 4,5,6,7-tetramethyl-1H-inden-1-ide; titanium(2+); tribromide Openeye Name: 4,5,6,7-tetramethyl-1H-inden-1-ide; titanium(2+); tribromide CAS Name: 4,5,6,7-tetramethyl-1H-inden-1-ide; titanium(2+); tribromide IUPAC Name: 4,5,6,7-tetramethyl-1H-inden-1-ide; titanium(2+); tribromide Traditional Name: 4,5,6,7-tetramethyl-1H-inden-1-ide; titanium(2+); tribromide Formula: C39H45Br3Ti3 MolecularWeight: 897.0876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C[CH-]2)C(=C1C)C)C.CC1=C(C2=C(C=C[CH-]2)C(=C1C)C)C.CC1=C(C2=C(C=C[CH-]2)C(=C1C)C)C.[Ti+2].[Ti+2].[Ti+2].[Br-].[Br-].[Br-]

Isomeric SMILES

CC1=C(C2=C(C=C[CH-]2)C(=C1C)C)C.CC1=C(C2=C(C=C[CH-]2)C(=C1C)C)C.CC1=C(C2=C(C=C[CH-]2)C(=C1C)C)C.[Ti+2].[Ti+2].[Ti+2].[Br-].[Br-].[Br-]

InChI

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