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

Systemtic Name: (6-ethanoyl-2,2-dimethyl-1,3-benzoxazin-4-yl) tris(fluoranyl)methanesulfonate Openeye Name: (6-acetyl-2,2-dimethyl-1,3-benzoxazin-4-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (6-acetyl-2,2-dimethyl-1,3-benzoxazin-4-yl) ester IUPAC Name: (6-acetyl-2,2-dimethyl-1,3-benzoxazin-4-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (6-acetyl-2,2-dimethyl-1,3-benzoxazin-4-yl) ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(N=C2OS(=O)(=O)C(F)(F)F)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OC(N=C2OS(=O)(=O)C(F)(F)F)(C)C

InChI

InChI=1S/C13H12F3NO5S/c1-7(18)8-4-5-10-9(6-8)11(17-12(2,3)21-10)22-23(19,20)13(14,15)16/h4-6H,1-3H3