3-azanyl-2-propanoyloxy-propane-1-sulfonic acid

Systemtic Name: 3-azanyl-2-propanoyloxy-propane-1-sulfonic acid Openeye Name: 3-amino-2-propanoyloxy-propane-1-sulfonic acid CAS Name: 3-amino-2-(1-oxopropoxy)-1-propanesulfonic acid IUPAC Name: 3-amino-2-propanoyloxypropane-1-sulfonic acid Traditional Name: 3-amino-2-propionyloxy-propane-1-sulfonic acid Formula: C6H13NO5S MolecularWeight: 211.23612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CN)CS(=O)(=O)O

Isomeric SMILES

CCC(=O)OC(CN)CS(=O)(=O)O

InChI

InChI=1S/C6H13NO5S/c1-2-6(8)12-5(3-7)4-13(9,10)11/h5H,2-4,7H2,1H3,(H,9,10,11)