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

Systemtic Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); trichloride Openeye Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); trichloride CAS Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); trichloride IUPAC Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); trichloride Traditional Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); trichloride Formula: C51H69Cl3Ti3 MolecularWeight: 932.05356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C2=C1[CH-]C=C2)CC)CC)CC.CCC1=C(C(=C(C2=C1[CH-]C=C2)CC)CC)CC.CCC1=C(C(=C(C2=C1[CH-]C=C2)CC)CC)CC.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CCC1=C(C(=C(C2=C1[CH-]C=C2)CC)CC)CC.CCC1=C(C(=C(C2=C1[CH-]C=C2)CC)CC)CC.CCC1=C(C(=C(C2=C1[CH-]C=C2)CC)CC)CC.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C17H23.3ClH.3Ti/c3*1-5-12-13(6-2)15(8-4)17-11-9-10-16(17)14(12)7-3;;;;;;/h3*9-11H,5-8H2,1-4H3;3*1H;;;/q3*-1;;;;3*+2/p-3