3-[(5-chloranyl-2-oxidanyl-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(5-chloranyl-2-oxidanyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(5-chloro-2-hydroxy-anilino)propane-1-sulfonic acid CAS Name: 3-(5-chloro-2-hydroxyanilino)-1-propanesulfonic acid IUPAC Name: 3-(5-chloro-2-hydroxyanilino)propane-1-sulfonic acid Traditional Name: 3-(5-chloro-2-hydroxy-anilino)propane-1-sulfonic acid Formula: C9H12ClNO4S MolecularWeight: 265.71388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NCCCS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)NCCCS(=O)(=O)O)O

InChI

InChI=1S/C9H12ClNO4S/c10-7-2-3-9(12)8(6-7)11-4-1-5-16(13,14)15/h2-3,6,11-12H,1,4-5H2,(H,13,14,15)