1-(1-methyl-4H-indol-4-id-3-yl)ethanone; titanium(3+); trifluoromethyloxymethanone

Systemtic Name: 1-(1-methyl-4H-indol-4-id-3-yl)ethanone; titanium(3+); trifluoromethyloxymethanone Openeye Name: 1-(1-methyl-4H-indol-4-id-3-yl)ethanone; titanium(3+); trifluoromethoxymethanone CAS Name: 1-(1-methyl-4H-indol-4-id-3-yl)ethanone; titanium(3+); trifluoromethoxymethanone IUPAC Name: 1-(1-methyl-4H-indol-4-id-3-yl)ethanone; titanium(3+); trifluoromethoxymethanone Traditional Name: 1-(1-methyl-4H-indol-4-id-3-yl)ethanone; titanium(3+); trifluoromethoxymethanone Formula: C15H10F6NO5Ti MolecularWeight: 446.101019

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C2=C1[C-]=CC=C2)C.[C-](=O)OC(F)(F)F.[C-](=O)OC(F)(F)F.[Ti+3]

Isomeric SMILES

CC(=O)C1=CN(C2=C1[C-]=CC=C2)C.[C-](=O)OC(F)(F)F.[C-](=O)OC(F)(F)F.[Ti+3]

InChI

InChI=1S/C11H10NO.2C2F3O2.Ti/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11;2*3-2(4,5)7-1-6;/h3-4,6-7H,1-2H3;;;/q3*-1;+3