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

Systemtic Name: 1,2,4,5,6,7-hexamethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride Openeye Name: 1,2,4,5,6,7-hexamethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride CAS Name: 1,2,4,5,6,7-hexamethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride IUPAC Name: 1,2,4,5,6,7-hexamethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride Traditional Name: 1,2,4,5,6,7-hexamethyl-4,5,6,7-tetrahydroinden-1-ide; titanium(2+); trichloride Formula: C45H69Cl3Ti3 MolecularWeight: 859.98936

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2=C(C1C)C=C([C-]2C)C)C)C.CC1C(C(C2=C(C1C)C=C([C-]2C)C)C)C.CC1C(C(C2=C(C1C)C=C([C-]2C)C)C)C.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CC1C(C(C2=C(C1C)C=C([C-]2C)C)C)C.CC1C(C(C2=C(C1C)C=C([C-]2C)C)C)C.CC1C(C(C2=C(C1C)C=C([C-]2C)C)C)C.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C15H23.3ClH.3Ti/c3*1-8-7-14-12(5)10(3)11(4)13(6)15(14)9(8)2;;;;;;/h3*7,10-13H,1-6H3;3*1H;;;/q3*-1;;;;3*+2/p-3