[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C23H16O6S MolecularWeight: 420.43454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16O6S/c1-14-6-8-15(9-7-14)19(24)13-29-23(26)16-10-11-18-21(12-16)30(27,28)20-5-3-2-4-17(20)22(18)25/h2-12H,13H2,1H3