1-(2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-yl)ethanone tetrafluoroborate

Systemtic Name: 1-(2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-yl)ethanone tetrafluoroborate Openeye Name: 1-(2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-yl)ethanone tetrafluoroborate CAS Name: 1-(2-methyl-3-phenyl-1H-2-benzothiopyran-2-ium-4-yl)ethanone tetrafluoroborate IUPAC Name: 1-(2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-yl)ethanone tetrafluoroborate Traditional Name: 1-(2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-yl)ethanone tetrafluoroborate Formula: C18H17BF4OS MolecularWeight: 368.196593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)C1=C([S+](CC2=CC=CC=C21)C)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)C1=C([S+](CC2=CC=CC=C21)C)C3=CC=CC=C3

InChI

InChI=1S/C18H17OS.BF4/c1-13(19)17-16-11-7-6-10-15(16)12-20(2)18(17)14-8-4-3-5-9-14;2-1(3,4)5/h3-11H,12H2,1-2H3;/q+1;-1