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

Systemtic Name: 1,3-bis(chloranyl)propan-2-one; 2-[(4-methylphenyl)sulfonylamino]ethanoic acid Openeye Name: 1,3-dichloropropan-2-one; 2-(p-tolylsulfonylamino)acetic acid CAS Name: 1,3-dichloro-2-propanone; 2-[(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 1,3-dichloropropan-2-one; 2-[(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 1,3-dichloroacetone; 2-(tosylamino)acetic acid Formula: C12H15Cl2NO5S MolecularWeight: 356.2222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4S.C3H4Cl2O/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12;4-1-3(6)2-5/h2-5,10H,6H2,1H3,(H,11,12);1-2H2