5-[bis(fluoranyl)methylsulfonyl]-1,2,3,3-tetramethyl-indol-1-ium iodide

Systemtic Name: 5-[bis(fluoranyl)methylsulfonyl]-1,2,3,3-tetramethyl-indol-1-ium iodide Openeye Name: 5-(difluoromethylsulfonyl)-1,2,3,3-tetramethyl-indol-1-ium iodide CAS Name: 5-(difluoromethylsulfonyl)-1,2,3,3-tetramethylindol-1-ium iodide IUPAC Name: 5-(difluoromethylsulfonyl)-1,2,3,3-tetramethylindol-1-ium iodide Traditional Name: 5-(difluoromethylsulfonyl)-1,2,3,3-tetramethyl-indol-1-ium iodide Formula: C13H16F2INO2S MolecularWeight: 415.237916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)C(F)F)C.[I-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)C(F)F)C.[I-]

InChI

InChI=1S/C13H16F2NO2S.HI/c1-8-13(2,3)10-7-9(19(17,18)12(14)15)5-6-11(10)16(8)4;/h5-7,12H,1-4H3;1H/q+1;/p-1