(2-bromanyl-4-methyl-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-bromo-4-methyl-phenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-bromo-4-methyl-phenyl) ester Formula: C21H13BrO5S MolecularWeight: 457.29392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrO5S/c1-12-6-9-17(16(22)10-12)27-21(24)13-7-8-15-19(11-13)28(25,26)18-5-3-2-4-14(18)20(15)23/h2-11H,1H3