methyl 2-fluoranyl-3-methylsulfonyl-4-propyl-benzoate

Systemtic Name: methyl 2-fluoranyl-3-methylsulfonyl-4-propyl-benzoate Openeye Name: methyl 2-fluoro-3-methylsulfonyl-4-propyl-benzoate CAS Name: 2-fluoro-3-methylsulfonyl-4-propylbenzoic acid methyl ester IUPAC Name: methyl 2-fluoro-3-methylsulfonyl-4-propylbenzoate Traditional Name: 2-fluoro-3-mesyl-4-propyl-benzoic acid methyl ester Formula: C12H15FO4S MolecularWeight: 274.308503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C(=O)OC)F)S(=O)(=O)C

Isomeric SMILES

CCCC1=C(C(=C(C=C1)C(=O)OC)F)S(=O)(=O)C

InChI

InChI=1S/C12H15FO4S/c1-4-5-8-6-7-9(12(14)17-2)10(13)11(8)18(3,15)16/h6-7H,4-5H2,1-3H3