(3-acetamido-2-ethyl-1,4-benzodioxin-6-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3-acetamido-2-ethyl-1,4-benzodioxin-6-yl) tris(fluoranyl)methanesulfonate Openeye Name: (3-acetamido-2-ethyl-1,4-benzodioxin-6-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (3-acetamido-2-ethyl-1,4-benzodioxin-6-yl) ester IUPAC Name: (3-acetamido-2-ethyl-1,4-benzodioxin-6-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-acetamido-2-ethyl-1,4-benzodioxin-6-yl) ester Formula: C13H12F3NO6S MolecularWeight: 367.29769

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C(O1)C=CC(=C2)OS(=O)(=O)C(F)(F)F)NC(=O)C

Isomeric SMILES

CCC1=C(OC2=C(O1)C=CC(=C2)OS(=O)(=O)C(F)(F)F)NC(=O)C

InChI

InChI=1S/C13H12F3NO6S/c1-3-9-12(17-7(2)18)22-11-6-8(4-5-10(11)21-9)23-24(19,20)13(14,15)16/h4-6H,3H2,1-2H3,(H,17,18)