[(1S)-2-oxidanylidenecyclohexyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H16O6S MolecularWeight: 384.40244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H16O6S/c21-15-6-2-3-7-16(15)26-20(23)12-9-10-14-18(11-12)27(24,25)17-8-4-1-5-13(17)19(14)22/h1,4-5,8-11,16H,2-3,6-7H2/t16-/m0/s1