(4-methylphenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (4-methylphenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: p-tolylmethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (4-methylbenzyl) ester Formula: C22H16O5S MolecularWeight: 392.42444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H16O5S/c1-14-6-8-15(9-7-14)13-27-22(24)16-10-11-18-20(12-16)28(25,26)19-5-3-2-4-17(19)21(18)23/h2-12H,13H2,1H3