4,6-dimethyl-1H-inden-1-ide; titanium(2+); tribromide

Systemtic Name: 4,6-dimethyl-1H-inden-1-ide; titanium(2+); tribromide Openeye Name: 4,6-dimethyl-1H-inden-1-ide; titanium(2+); tribromide CAS Name: 4,6-dimethyl-1H-inden-1-ide; titanium(2+); tribromide IUPAC Name: 4,6-dimethyl-1H-inden-1-ide; titanium(2+); tribromide Traditional Name: 4,6-dimethyl-1H-inden-1-ide; titanium(2+); tribromide Formula: C33H33Br3Ti3 MolecularWeight: 812.92812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C[CH-]C2=C1)C.CC1=CC(=C2C=C[CH-]C2=C1)C.CC1=CC(=C2C=C[CH-]C2=C1)C.[Ti+2].[Ti+2].[Ti+2].[Br-].[Br-].[Br-]

Isomeric SMILES

CC1=CC(=C2C=C[CH-]C2=C1)C.CC1=CC(=C2C=C[CH-]C2=C1)C.CC1=CC(=C2C=C[CH-]C2=C1)C.[Ti+2].[Ti+2].[Ti+2].[Br-].[Br-].[Br-]

InChI

InChI=1S/3C11H11.3BrH.3Ti/c3*1-8-6-9(2)11-5-3-4-10(11)7-8;;;;;;/h3*3-7H,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3