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

Systemtic Name: 2-methylcyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate Openeye Name: 2-methylcyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate CAS Name: 2-methylcyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate IUPAC Name: 2-methylcyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate Traditional Name: 2-methylcyclopenta-1,3-diene; titanium(3+); trifluoromethylbenzene; thiocyanate Formula: C20H18F3NSTi- MolecularWeight: 409.29083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1=CC=C([C-]=C1)C(F)(F)F.C(#N)[S-].[Ti+3]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1=CC=C([C-]=C1)C(F)(F)F.C(#N)[S-].[Ti+3]

InChI

InChI=1S/C7H4F3.2C6H7.CHNS.Ti/c8-7(9,10)6-4-2-1-3-5-6;2*1-6-4-2-3-5-6;2-1-3;/h1-4H;2*2,4H,3H2,1H3;3H;/q3*-1;;+3/p-1