2,3-ditert-butylindol-1-ide; 5-methylidenecyclopenta-1,3-diene; titanium(4+); dichloride

Systemtic Name: 2,3-ditert-butylindol-1-ide; 5-methylidenecyclopenta-1,3-diene; titanium(4+); dichloride Openeye Name: 2,3-ditert-butylindol-1-ide; 5-methylenecyclopenta-1,3-diene; titanium(4+); dichloride CAS Name: 2,3-ditert-butylindol-1-ide; 5-methylenecyclopenta-1,3-diene; titanium(4+); dichloride IUPAC Name: 2,3-ditert-butylindol-1-ide; 5-methylidenecyclopenta-1,3-diene; titanium(4+); dichloride Traditional Name: 2,3-ditert-butylindol-1-ide; 5-methylenecyclopenta-1,3-diene; titanium(4+); dichloride Formula: C22H27Cl2NTi MolecularWeight: 424.22948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C([N-]C2=CC=CC=C21)C(C)(C)C.C=C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CC(C)(C)C1=C([N-]C2=CC=CC=C21)C(C)(C)C.C=C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C16H22N.C6H5.2ClH.Ti/c1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-6-4-2-3-5-6;;;/h7-10H,1-6H3;2-4H,1H2;2*1H;/q2*-1;;;+4/p-2