4,4-dimethyl-2-(2-thioxanthen-10-ium-9-ylphenyl)-5H-1,3-oxazole tetrafluoroborate

Systemtic Name: 4,4-dimethyl-2-(2-thioxanthen-10-ium-9-ylphenyl)-5H-1,3-oxazole tetrafluoroborate Openeye Name: 4,4-dimethyl-2-(2-thioxanthen-10-ium-9-ylphenyl)-5H-oxazole tetrafluoroborate CAS Name: 4,4-dimethyl-2-[2-(9-thioxanthen-10-iumyl)phenyl]-5H-oxazole tetrafluoroborate IUPAC Name: 4,4-dimethyl-2-(2-thioxanthen-10-ium-9-ylphenyl)-5H-1,3-oxazole tetrafluoroborate Traditional Name: 4,4-dimethyl-2-(2-thioxanthen-10-ium-9-ylphenyl)-2-oxazoline tetrafluoroborate Formula: C24H20BF4NOS MolecularWeight: 457.291313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1(COC(=N1)C2=CC=CC=C2C3=C4C=CC=CC4=[S+]C5=CC=CC=C53)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1(COC(=N1)C2=CC=CC=C2C3=C4C=CC=CC4=[S+]C5=CC=CC=C53)C

InChI

InChI=1S/C24H20NOS.BF4/c1-24(2)15-26-23(25-24)17-10-4-3-9-16(17)22-18-11-5-7-13-20(18)27-21-14-8-6-12-19(21)22;2-1(3,4)5/h3-14H,15H2,1-2H3;/q+1;-1