4-[2,3-bis(oxidanyl)propylamino]benzenesulfonic acid

Systemtic Name: 4-[2,3-bis(oxidanyl)propylamino]benzenesulfonic acid Openeye Name: 4-(2,3-dihydroxypropylamino)benzenesulfonic acid CAS Name: 4-(2,3-dihydroxypropylamino)benzenesulfonic acid IUPAC Name: 4-(2,3-dihydroxypropylamino)benzenesulfonic acid Traditional Name: 4-(glycerylamino)besylic acid Formula: C9H13NO5S MolecularWeight: 247.26822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC(CO)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCC(CO)O)S(=O)(=O)O

InChI

InChI=1S/C9H13NO5S/c11-6-8(12)5-10-7-1-3-9(4-2-7)16(13,14)15/h1-4,8,10-12H,5-6H2,(H,13,14,15)