4H-indol-4-ide-3-carbaldehyde; titanium(3+); trifluoromethyloxymethanone

Systemtic Name: 4H-indol-4-ide-3-carbaldehyde; titanium(3+); trifluoromethyloxymethanone Openeye Name: 4H-indol-4-ide-3-carbaldehyde; titanium(3+); trifluoromethoxymethanone CAS Name: 4H-indol-4-ide-3-carboxaldehyde; titanium(3+); trifluoromethoxymethanone IUPAC Name: 4H-indol-4-ide-3-carbaldehyde; titanium(3+); trifluoromethoxymethanone Traditional Name: 4H-indol-4-ide-3-carbaldehyde; titanium(3+); trifluoromethoxymethanone Formula: C13H6F6NO5Ti MolecularWeight: 418.047859

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C2C1=C(C=N2)C=O.[C-](=O)OC(F)(F)F.[C-](=O)OC(F)(F)F.[Ti+3]

Isomeric SMILES

[CH-]1C=CC=C2C1=C(C=N2)C=O.[C-](=O)OC(F)(F)F.[C-](=O)OC(F)(F)F.[Ti+3]

InChI

InChI=1S/C9H6NO.2C2F3O2.Ti/c11-6-7-5-10-9-4-2-1-3-8(7)9;2*3-2(4,5)7-1-6;/h1-6H;;;/q3*-1;+3