ethyl 4,5-dimethyl-2-(phenylsulfonylmethyl)benzoate

Systemtic Name: ethyl 4,5-dimethyl-2-(phenylsulfonylmethyl)benzoate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-4,5-dimethyl-benzoate CAS Name: 2-(benzenesulfonylmethyl)-4,5-dimethylbenzoic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-4,5-dimethylbenzoate Traditional Name: 2-(besylmethyl)-4,5-dimethyl-benzoic acid ethyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-4-22-18(19)17-11-14(3)13(2)10-15(17)12-23(20,21)16-8-6-5-7-9-16/h5-11H,4,12H2,1-3H3