methyl 3-methylsulfonyl-4-[(E)-3,3,3-tris(fluoranyl)prop-1-enyl]benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-[(E)-3,3,3-tris(fluoranyl)prop-1-enyl]benzoate Openeye Name: methyl 3-methylsulfonyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzoate CAS Name: 3-methylsulfonyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzoate Traditional Name: 3-mesyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzoic acid methyl ester Formula: C12H11F3O4S MolecularWeight: 308.27355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3O4S/c1-19-11(16)9-4-3-8(5-6-12(13,14)15)10(7-9)20(2,17)18/h3-7H,1-2H3/b6-5+