4-methylbenzenesulfonate; N-[1,1,1-tris(fluoranyl)propan-2-yl]propanamide

Systemtic Name: 4-methylbenzenesulfonate; N-[1,1,1-tris(fluoranyl)propan-2-yl]propanamide Openeye Name: 4-methylbenzenesulfonate; N-(2,2,2-trifluoro-1-methyl-ethyl)propanamide CAS Name: 4-methylbenzenesulfonate; N-(1,1,1-trifluoropropan-2-yl)propanamide IUPAC Name: 4-methylbenzenesulfonate; N-(1,1,1-trifluoropropan-2-yl)propanamide Traditional Name: N-(2,2,2-trifluoro-1-methyl-ethyl)propionamide tosylate Formula: C13H17F3NO4S- MolecularWeight: 340.33859

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C)C(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(=O)NC(C)C(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.C6H10F3NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-5(11)10-4(2)6(7,8)9/h2-5H,1H3,(H,8,9,10);4H,3H2,1-2H3,(H,10,11)/p-1