2-[[2-[[2,3-bis(chloranyl)-4,6-disulfamoyl-phenyl]amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[[2,3-bis(chloranyl)-4,6-disulfamoyl-phenyl]amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-(2,3-dichloro-4,6-disulfamoyl-anilino)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-(2,3-dichloro-4,6-disulfamoylanilino)-2-oxoethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-(2,3-dichloro-4,6-disulfamoylanilino)-2-oxoethyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-(2,3-dichloro-4,6-disulfamoyl-anilino)-2-keto-ethyl]amino]acetic acid Formula: C12H14Cl2N4O9S2 MolecularWeight: 493.29696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)Cl)NC(=O)CN(CC(=O)O)CC(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)Cl)NC(=O)CN(CC(=O)O)CC(=O)O)S(=O)(=O)N

InChI

InChI=1S/C12H14Cl2N4O9S2/c13-10-5(28(15,24)25)1-6(29(16,26)27)12(11(10)14)17-7(19)2-18(3-8(20)21)4-9(22)23/h1H,2-4H2,(H,17,19)(H,20,21)(H,22,23)(H2,15,24,25)(H2,16,26,27)