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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (4-chloro-3-methyl-phenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (4-chloro-3-methyl-phenyl) ester Formula: C21H13ClO5S MolecularWeight: 412.84292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClO5S/c1-12-10-14(7-9-17(12)22)27-21(24)13-6-8-16-19(11-13)28(25,26)18-5-3-2-4-15(18)20(16)23/h2-11H,1H3