1-azanyl-4-fluoranyl-butan-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 1-azanyl-4-fluoranyl-butan-2-one; 4-methylbenzenesulfonic acid Openeye Name: 1-amino-4-fluoro-butan-2-one; 4-methylbenzenesulfonic acid CAS Name: 1-amino-4-fluoro-2-butanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-amino-4-fluorobutan-2-one; 4-methylbenzenesulfonic acid Traditional Name: 1-amino-4-fluoro-butan-2-one; tosylic acid Formula: C11H16FNO4S MolecularWeight: 277.312443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C(CF)C(=O)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C(CF)C(=O)CN

InChI

InChI=1S/C7H8O3S.C4H8FNO/c1-6-2-4-7(5-3-6)11(8,9)10;5-2-1-4(7)3-6/h2-5H,1H3,(H,8,9,10);1-3,6H2