(4-propanoylphenyl) 4-(phenylsulfonylmethyl)benzoate

Systemtic Name: (4-propanoylphenyl) 4-(phenylsulfonylmethyl)benzoate Openeye Name: (4-propanoylphenyl) 4-(benzenesulfonylmethyl)benzoate CAS Name: 4-(benzenesulfonylmethyl)benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-(benzenesulfonylmethyl)benzoate Traditional Name: 4-(besylmethyl)benzoic acid (4-propionylphenyl) ester Formula: C23H20O5S MolecularWeight: 408.4669

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20O5S/c1-2-22(24)18-12-14-20(15-13-18)28-23(25)19-10-8-17(9-11-19)16-29(26,27)21-6-4-3-5-7-21/h3-15H,2,16H2,1H3