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

Systemtic Name: 4-ethyl-2-methoxy-benzoic acid; tris(fluoranyl)methanesulfonamide Openeye Name: 4-ethyl-2-methoxy-benzoic acid; trifluoromethanesulfonamide CAS Name: 4-ethyl-2-methoxybenzoic acid; trifluoromethanesulfonamide IUPAC Name: 4-ethyl-2-methoxybenzoic acid; trifluoromethanesulfonamide Traditional Name: 4-ethyl-2-methoxy-benzoic acid; trifluoromethanesulfonamide Formula: C11H14F3NO5S MolecularWeight: 329.29277

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(=O)O)OC.C(F)(F)(F)S(=O)(=O)N

Isomeric SMILES

CCC1=CC(=C(C=C1)C(=O)O)OC.C(F)(F)(F)S(=O)(=O)N

InChI

InChI=1S/C10H12O3.CH2F3NO2S/c1-3-7-4-5-8(10(11)12)9(6-7)13-2;2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3,(H,11,12);(H2,5,6,7)