(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H16BrFO6S MolecularWeight: 459.283443

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H16BrFO6S/c19-13-2-1-12(15(20)9-13)11-26-18(21)5-8-27(22,23)14-3-4-16-17(10-14)25-7-6-24-16/h1-4,9-10H,5-8,11H2