1,3-bis(chloranyl)propan-2-one; 3-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 1,3-bis(chloranyl)propan-2-one; 3-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 1,3-dichloropropan-2-one; 3-(p-tolylsulfonylamino)propanoic acid CAS Name: 1,3-dichloro-2-propanone; 3-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 1,3-dichloropropan-2-one; 3-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 1,3-dichloroacetone; 3-(tosylamino)propionic acid Formula: C13H17Cl2NO5S MolecularWeight: 370.24878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O.C(C(=O)CCl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O.C(C(=O)CCl)Cl

InChI

InChI=1S/C10H13NO4S.C3H4Cl2O/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13;4-1-3(6)2-5/h2-5,11H,6-7H2,1H3,(H,12,13);1-2H2