ethyl 2-methyl-6-(phenylsulfonylmethyl)benzoate

Systemtic Name: ethyl 2-methyl-6-(phenylsulfonylmethyl)benzoate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-6-methyl-benzoate CAS Name: 2-(benzenesulfonylmethyl)-6-methylbenzoic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-6-methylbenzoate Traditional Name: 2-(besylmethyl)-6-methyl-benzoic acid ethyl ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1CS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1CS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H18O4S/c1-3-21-17(18)16-13(2)8-7-9-14(16)12-22(19,20)15-10-5-4-6-11-15/h4-11H,3,12H2,1-2H3