(7-ethoxy-2,2-dimethyl-1,3-benzoxazin-4-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (7-ethoxy-2,2-dimethyl-1,3-benzoxazin-4-yl) tris(fluoranyl)methanesulfonate Openeye Name: (7-ethoxy-2,2-dimethyl-1,3-benzoxazin-4-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (7-ethoxy-2,2-dimethyl-1,3-benzoxazin-4-yl) ester IUPAC Name: (7-ethoxy-2,2-dimethyl-1,3-benzoxazin-4-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (7-ethoxy-2,2-dimethyl-1,3-benzoxazin-4-yl) ester Formula: C13H14F3NO5S MolecularWeight: 353.31417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=NC(O2)(C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=NC(O2)(C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H14F3NO5S/c1-4-20-8-5-6-9-10(7-8)21-12(2,3)17-11(9)22-23(18,19)13(14,15)16/h5-7H,4H2,1-3H3