1-(4-fluorophenyl)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 1-(4-fluorophenyl)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 1-(4-fluorophenyl)ethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 1-(4-fluorophenyl)ethyl ester IUPAC Name: 1-(4-fluorophenyl)ethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 1-(4-fluorophenyl)ethyl ester Formula: C22H15FO5S MolecularWeight: 410.414903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC(C1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H15FO5S/c1-13(14-6-9-16(23)10-7-14)28-22(25)15-8-11-18-20(12-15)29(26,27)19-5-3-2-4-17(19)21(18)24/h2-13H,1H3