1-azanylpropan-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 1-azanylpropan-2-one; 4-methylbenzenesulfonic acid Openeye Name: 1-aminopropan-2-one; 4-methylbenzenesulfonic acid CAS Name: 1-amino-2-propanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-aminopropan-2-one; 4-methylbenzenesulfonic acid Traditional Name: 1-aminoacetone; tosylic acid Formula: C16H29N3O6S MolecularWeight: 391.48296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.3C3H7NO/c1-6-2-4-7(5-3-6)11(8,9)10;3*1-3(5)2-4/h2-5H,1H3,(H,8,9,10);3*2,4H2,1H3