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

Systemtic Name: 4,5-dimethyl-1H-inden-1-ide; titanium(2+); trichloride Openeye Name: 4,5-dimethyl-1H-inden-1-ide; titanium(2+); trichloride CAS Name: 4,5-dimethyl-1H-inden-1-ide; titanium(2+); trichloride IUPAC Name: 4,5-dimethyl-1H-inden-1-ide; titanium(2+); trichloride Traditional Name: 4,5-dimethyl-1H-inden-1-ide; titanium(2+); trichloride Formula: C33H33Cl3Ti3 MolecularWeight: 679.57512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]C=C2)C=C1)C.CC1=C(C2=C([CH-]C=C2)C=C1)C.CC1=C(C2=C([CH-]C=C2)C=C1)C.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=C(C2=C([CH-]C=C2)C=C1)C.CC1=C(C2=C([CH-]C=C2)C=C1)C.CC1=C(C2=C([CH-]C=C2)C=C1)C.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

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