(phenylmethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (phenylmethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: benzyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid benzyl ester Formula: C21H14O5S MolecularWeight: 378.39786

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H14O5S/c22-20-16-8-4-5-9-18(16)27(24,25)19-12-15(10-11-17(19)20)21(23)26-13-14-6-2-1-3-7-14/h1-12H,13H2