methyl 4-ethoxy-2-ethyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-ethoxy-2-ethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-ethoxy-2-ethyl-5-methylsulfonyl-benzoate CAS Name: 4-ethoxy-2-ethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-ethoxy-2-ethyl-5-methylsulfonylbenzoate Traditional Name: 4-ethoxy-2-ethyl-5-mesyl-benzoic acid methyl ester Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)OCC

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)OCC

InChI

InChI=1S/C13H18O5S/c1-5-9-7-11(18-6-2)12(19(4,15)16)8-10(9)13(14)17-3/h7-8H,5-6H2,1-4H3