3-[2,3-bis(oxidanyl)-3-oxidanylidene-propyl]sulfanyl-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 3-[2,3-bis(oxidanyl)-3-oxidanylidene-propyl]sulfanyl-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 3-(2,3-dihydroxy-3-oxo-propyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-[(2,3-dihydroxy-3-oxopropyl)thio]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 3-(2,3-dihydroxy-3-oxopropyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-[(2,3-dihydroxy-3-keto-propyl)thio]-3-(1H-imidazol-5-yl)propionic acid Formula: C9H12N2O5S MolecularWeight: 260.26698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)C(CC(=O)O)SCC(C(=O)O)O

Isomeric SMILES

C1=C(NC=N1)C(CC(=O)O)SCC(C(=O)O)O

InChI

InChI=1S/C9H12N2O5S/c12-6(9(15)16)3-17-7(1-8(13)14)5-2-10-4-11-5/h2,4,6-7,12H,1,3H2,(H,10,11)(H,13,14)(H,15,16)