methyl 4-ethyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-ethyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-ethyl-3-methylsulfonyl-benzoate CAS Name: 4-ethyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-ethyl-3-methylsulfonylbenzoate Traditional Name: 4-ethyl-3-mesyl-benzoic acid methyl ester Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C11H14O4S/c1-4-8-5-6-9(11(12)15-2)7-10(8)16(3,13)14/h5-7H,4H2,1-3H3