(3-chlorophenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

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

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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)OCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H13ClO5S/c22-15-5-3-4-13(10-15)12-27-21(24)14-8-9-17-19(11-14)28(25,26)18-7-2-1-6-16(18)20(17)23/h1-11H,12H2