2-(4-methoxyphenyl)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 2-(4-methoxyphenyl)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 2-(4-methoxyphenyl)ethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 2-(4-methoxyphenyl)ethyl ester Formula: C23H18O6S MolecularWeight: 422.45042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)CCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H18O6S/c1-28-17-9-6-15(7-10-17)12-13-29-23(25)16-8-11-19-21(14-16)30(26,27)20-5-3-2-4-18(20)22(19)24/h2-11,14H,12-13H2,1H3