(6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl) tris(fluoranyl)methanesulfonate Openeye Name: (6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl) ester IUPAC Name: (6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl) ester Formula: C12H9F3N2O4S MolecularWeight: 334.27107

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C12H9F3N2O4S/c1-11(2)17-10(21-22(18,19)12(13,14)15)8-5-7(6-16)3-4-9(8)20-11/h3-5H,1-2H3