2-methoxy-4-methyl-benzoic acid; tris(fluoranyl)methanesulfonamide

Systemtic Name: 2-methoxy-4-methyl-benzoic acid; tris(fluoranyl)methanesulfonamide Openeye Name: 2-methoxy-4-methyl-benzoic acid; trifluoromethanesulfonamide CAS Name: 2-methoxy-4-methylbenzoic acid; trifluoromethanesulfonamide IUPAC Name: 2-methoxy-4-methylbenzoic acid; trifluoromethanesulfonamide Traditional Name: 2-methoxy-4-methyl-benzoic acid; trifluoromethanesulfonamide Formula: C10H12F3NO5S MolecularWeight: 315.26619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)OC.C(F)(F)(F)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)OC.C(F)(F)(F)S(=O)(=O)N

InChI

InChI=1S/C9H10O3.CH2F3NO2S/c1-6-3-4-7(9(10)11)8(5-6)12-2;2-1(3,4)8(5,6)7/h3-5H,1-2H3,(H,10,11);(H2,5,6,7)