2-(azanyloxymethyl)-5-oxidanyl-pyran-4-one; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(azanyloxymethyl)-5-oxidanyl-pyran-4-one; 4-methylbenzenesulfonic acid Openeye Name: 2-(aminooxymethyl)-5-hydroxy-pyran-4-one; 4-methylbenzenesulfonic acid CAS Name: 2-(aminooxymethyl)-5-hydroxy-4-pyranone; 4-methylbenzenesulfonic acid IUPAC Name: 2-(aminooxymethyl)-5-hydroxypyran-4-one; 4-methylbenzenesulfonic acid Traditional Name: 2-(aminooxymethyl)-5-hydroxy-pyran-4-one; tosylic acid Formula: C13H15NO7S MolecularWeight: 329.3257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(OC=C(C1=O)O)CON

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(OC=C(C1=O)O)CON

InChI

InChI=1S/C7H8O3S.C6H7NO4/c1-6-2-4-7(5-3-6)11(8,9)10;7-11-2-4-1-5(8)6(9)3-10-4/h2-5H,1H3,(H,8,9,10);1,3,9H,2,7H2