pentanoic acid; N-phenylmethanesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: pentanoic acid; N-phenylmethanesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: pentanoic acid; N-phenylmethanesulfonamide; 2,2,2-trifluoroacetic acid CAS Name: pentanoic acid; N-phenylmethanesulfonamide; 2,2,2-trifluoroacetic acid IUPAC Name: pentanoic acid; N-phenylmethanesulfonamide; 2,2,2-trifluoroacetic acid Traditional Name: N-phenylmethanesulfonamide; 2,2,2-trifluoroacetic acid; valeric acid Formula: C14H20F3NO6S MolecularWeight: 387.37191

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)O.CS(=O)(=O)NC1=CC=CC=C1.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCC(=O)O.CS(=O)(=O)NC1=CC=CC=C1.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C7H9NO2S.C5H10O2.C2HF3O2/c1-11(9,10)8-7-5-3-2-4-6-7;1-2-3-4-5(6)7;3-2(4,5)1(6)7/h2-6,8H,1H3;2-4H2,1H3,(H,6,7);(H,6,7)