1-(methylamino)-4,4,4-tris(oxidanyl)butane-1-sulfonic acid

Systemtic Name: 1-(methylamino)-4,4,4-tris(oxidanyl)butane-1-sulfonic acid Openeye Name: 4,4,4-trihydroxy-1-(methylamino)butane-1-sulfonic acid CAS Name: 4,4,4-trihydroxy-1-(methylamino)-1-butanesulfonic acid IUPAC Name: 4,4,4-trihydroxy-1-(methylamino)butane-1-sulfonic acid Traditional Name: 4,4,4-trihydroxy-1-(methylamino)butane-1-sulfonic acid Formula: C5H13NO6S MolecularWeight: 215.22482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(CCC(O)(O)O)S(=O)(=O)O

Isomeric SMILES

CNC(CCC(O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C5H13NO6S/c1-6-4(13(10,11)12)2-3-5(7,8)9/h4,6-9H,2-3H2,1H3,(H,10,11,12)