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

Systemtic Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; tribromide Openeye Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; tribromide CAS Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; tribromide IUPAC Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; tribromide Traditional Name: titanium(2+); 4,5,6-triethyl-1H-inden-1-ide; tribromide Formula: C45H57Br3Ti3 MolecularWeight: 981.24708

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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.[Ti+2].[Ti+2].[Ti+2].[Br-].[Br-].[Br-]

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.[Ti+2].[Ti+2].[Ti+2].[Br-].[Br-].[Br-]

InChI

InChI=1S/3C15H19.3BrH.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