1,4-bis(azanyl)-3-oxidanylidene-5-sulfanyl-pentane-2-sulfonic acid

Systemtic Name: 1,4-bis(azanyl)-3-oxidanylidene-5-sulfanyl-pentane-2-sulfonic acid Openeye Name: 1,4-diamino-3-oxo-5-sulfanyl-pentane-2-sulfonic acid CAS Name: 1,4-diamino-5-mercapto-3-oxo-2-pentanesulfonic acid IUPAC Name: 1,4-diamino-3-oxo-5-sulfanylpentane-2-sulfonic acid Traditional Name: 1,4-diamino-3-keto-5-mercapto-pentane-2-sulfonic acid Formula: C5H12N2O4S2 MolecularWeight: 228.28978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)C(CS)N)S(=O)(=O)O)N

Isomeric SMILES

C(C(C(=O)C(CS)N)S(=O)(=O)O)N

InChI

InChI=1S/C5H12N2O4S2/c6-1-4(13(9,10)11)5(8)3(7)2-12/h3-4,12H,1-2,6-7H2,(H,9,10,11)