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

Systemtic Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; trichloride Openeye Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; trichloride CAS Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; trichloride IUPAC Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; trichloride Traditional Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; trichloride Formula: C45H57Cl3Ti3 MolecularWeight: 847.89408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=C[CH-]C2=C1)CC)CC.CCC1=C(C(=C2C=C[CH-]C2=C1)CC)CC.CCC1=C(C(=C2C=C[CH-]C2=C1)CC)CC.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CCC1=C(C(=C2C=C[CH-]C2=C1)CC)CC.CCC1=C(C(=C2C=C[CH-]C2=C1)CC)CC.CCC1=C(C(=C2C=C[CH-]C2=C1)CC)CC.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C15H19.3ClH.3Ti/c3*1-4-11-10-12-8-7-9-15(12)14(6-3)13(11)5-2;;;;;;/h3*7-10H,4-6H2,1-3H3;3*1H;;;/q3*-1;;;;3*+2/p-3