cyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate

Systemtic Name: cyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate Openeye Name: cyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate CAS Name: cyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate IUPAC Name: cyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate Traditional Name: cyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate Formula: C18H14F3NSTi- MolecularWeight: 381.23767

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C([C-]=C1)C(F)(F)F.C(#N)[S-].[Ti+3]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C([C-]=C1)C(F)(F)F.C(#N)[S-].[Ti+3]

InChI

InChI=1S/C7H4F3.2C5H5.CHNS.Ti/c8-7(9,10)6-4-2-1-3-5-6;2*1-2-4-5-3-1;2-1-3;/h1-4H;2*1-3H,4H2;3H;/q3*-1;;+3/p-1