phenacyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate

Systemtic Name: phenacyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: phenacyl 4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 4-(tosylmethyl)benzoic acid phenacyl ester Formula: C23H20O5S MolecularWeight: 408.4669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20O5S/c1-17-7-13-21(14-8-17)29(26,27)16-18-9-11-20(12-10-18)23(25)28-15-22(24)19-5-3-2-4-6-19/h2-14H,15-16H2,1H3