[2-(phenylmethyl)phenyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-(phenylmethyl)phenyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-benzylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-benzylphenyl) ester Formula: C27H18O5S MolecularWeight: 454.49382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2OC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2OC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C27H18O5S/c28-26-21-11-5-7-13-24(21)33(30,31)25-17-20(14-15-22(25)26)27(29)32-23-12-6-4-10-19(23)16-18-8-2-1-3-9-18/h1-15,17H,16H2