1-isocyanatoethanesulfonic acid

Systemtic Name: 1-isocyanatoethanesulfonic acid Openeye Name: 1-isocyanatoethanesulfonic acid CAS Name: 1-isocyanatoethanesulfonic acid IUPAC Name: 1-isocyanatoethanesulfonic acid Traditional Name: 1-isocyanatoethanesulfonic acid Formula: C3H5NO4S MolecularWeight: 151.1411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N=C=O)S(=O)(=O)O

Isomeric SMILES

CC(N=C=O)S(=O)(=O)O

InChI

InChI=1S/C3H5NO4S/c1-3(4-2-5)9(6,7)8/h3H,1H3,(H,6,7,8)