methyl 3-methylsulfonyl-4-[3,3,3-tris(fluoranyl)propyl]benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-[3,3,3-tris(fluoranyl)propyl]benzoate Openeye Name: methyl 3-methylsulfonyl-4-(3,3,3-trifluoropropyl)benzoate CAS Name: 3-methylsulfonyl-4-(3,3,3-trifluoropropyl)benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-(3,3,3-trifluoropropyl)benzoate Traditional Name: 3-mesyl-4-(3,3,3-trifluoropropyl)benzoic acid methyl ester Formula: C12H13F3O4S MolecularWeight: 310.28943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CCC(F)(F)F)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CCC(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C12H13F3O4S/c1-19-11(16)9-4-3-8(5-6-12(13,14)15)10(7-9)20(2,17)18/h3-4,7H,5-6H2,1-2H3