[3-oxidanylidene-4-(2-phenylmethoxyethyl)-1,4-benzoxazin-8-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-oxidanylidene-4-(2-phenylmethoxyethyl)-1,4-benzoxazin-8-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(2-benzyloxyethyl)-3-oxo-1,4-benzoxazin-8-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-oxo-4-(2-phenylmethoxyethyl)-1,4-benzoxazin-8-yl] ester IUPAC Name: [3-oxo-4-(2-phenylmethoxyethyl)-1,4-benzoxazin-8-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(2-benzoxyethyl)-3-keto-1,4-benzoxazin-8-yl] ester Formula: C18H16F3NO6S MolecularWeight: 431.38295

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C(=CC=C2)OS(=O)(=O)C(F)(F)F)CCOCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C(=CC=C2)OS(=O)(=O)C(F)(F)F)CCOCC3=CC=CC=C3

InChI

InChI=1S/C18H16F3NO6S/c19-18(20,21)29(24,25)28-15-8-4-7-14-17(15)27-12-16(23)22(14)9-10-26-11-13-5-2-1-3-6-13/h1-8H,9-12H2