[2-(trifluoromethyl)phenyl] 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate

Systemtic Name: [2-(trifluoromethyl)phenyl] 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: [2-(trifluoromethyl)phenyl] 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid [2-(trifluoromethyl)phenyl] ester IUPAC Name: [2-(trifluoromethyl)phenyl] 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid [2-(trifluoromethyl)phenyl] ester Formula: C15H10F3NO5S MolecularWeight: 373.30381

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C15H10F3NO5S/c16-15(17,18)10-3-1-2-4-12(10)24-25(21,22)9-5-6-13-11(7-9)19-14(20)8-23-13/h1-7H,8H2,(H,19,20)