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

Systemtic Name: (2-chlorophenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-chlorophenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-chlorobenzyl) ester Formula: C21H13ClO5S MolecularWeight: 412.84292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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