[(1R)-1-(4-methylphenyl)ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [(1R)-1-(4-methylphenyl)ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [(1R)-1-(p-tolyl)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [(1R)-1-(4-methylphenyl)ethyl] ester IUPAC Name: [(1R)-1-(4-methylphenyl)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [(1R)-1-(p-tolyl)ethyl] ester Formula: C23H18O5S MolecularWeight: 406.45102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H18O5S/c1-14-7-9-16(10-8-14)15(2)28-23(25)17-11-12-19-21(13-17)29(26,27)20-6-4-3-5-18(20)22(19)24/h3-13,15H,1-2H3/t15-/m1/s1