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

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C22H13BrO6S MolecularWeight: 485.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H13BrO6S/c23-15-5-3-4-13(10-15)18(24)12-29-22(26)14-8-9-17-20(11-14)30(27,28)19-7-2-1-6-16(19)21(17)25/h1-11H,12H2