2-isocyanatoethane-1,1,2-triol; 2-sulfanylpropanoic acid

Systemtic Name: 2-isocyanatoethane-1,1,2-triol; 2-sulfanylpropanoic acid Openeye Name: 2-isocyanatoethane-1,1,2-triol; 2-sulfanylpropanoic acid CAS Name: 2-isocyanatoethane-1,1,2-triol; 2-mercaptopropanoic acid IUPAC Name: 2-isocyanatoethane-1,1,2-triol; 2-sulfanylpropanoic acid Traditional Name: 2-isocyanatoethane-1,1,2-triol; 2-mercaptopropionic acid Formula: C6H11NO6S MolecularWeight: 225.21964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S.C(=NC(C(O)O)O)=O

Isomeric SMILES

CC(C(=O)O)S.C(=NC(C(O)O)O)=O

InChI

InChI=1S/C3H5NO4.C3H6O2S/c5-1-4-2(6)3(7)8;1-2(6)3(4)5/h2-3,6-8H;2,6H,1H3,(H,4,5)