(2-methoxyphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (2-methoxyphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-methoxyphenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-methoxyphenyl) ester Formula: C21H14O6S MolecularWeight: 394.39726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC1=CC=CC=C1OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H14O6S/c1-26-16-7-3-4-8-17(16)27-21(23)13-10-11-15-19(12-13)28(24,25)18-9-5-2-6-14(18)20(15)22/h2-12H,1H3