3-azanyl-5,5,5-tris(fluoranyl)-2-oxidanyl-pentanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyl-5,5,5-tris(fluoranyl)-2-oxidanyl-pentanamide; 4-methylbenzenesulfonic acid Openeye Name: 3-amino-5,5,5-trifluoro-2-hydroxy-pentanamide; 4-methylbenzenesulfonic acid CAS Name: 3-amino-5,5,5-trifluoro-2-hydroxypentanamide; 4-methylbenzenesulfonic acid IUPAC Name: 3-amino-5,5,5-trifluoro-2-hydroxypentanamide; 4-methylbenzenesulfonic acid Traditional Name: 3-amino-5,5,5-trifluoro-2-hydroxy-valeramide; tosylic acid Formula: C12H17F3N2O5S MolecularWeight: 358.33399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H9F3N2O2/c1-6-2-4-7(5-3-6)11(8,9)10;6-5(7,8)1-2(9)3(11)4(10)12/h2-5H,1H3,(H,8,9,10);2-3,11H,1,9H2,(H2,10,12)