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

Systemtic Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); tribromide Openeye Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); tribromide CAS Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); tribromide IUPAC Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); tribromide Traditional Name: 4,5,6,7-tetraethyl-1H-inden-1-ide; titanium(2+); tribromide Formula: C51H69Br3Ti3 MolecularWeight: 1065.40656

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

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

InChI

InChI=1S/3C17H23.3BrH.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