1-[ethyl-(4-nitroso-3-oxidanyl-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 1-[ethyl-(4-nitroso-3-oxidanyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 1-(N-ethyl-3-hydroxy-4-nitroso-anilino)propane-1-sulfonic acid CAS Name: 1-(N-ethyl-3-hydroxy-4-nitrosoanilino)-1-propanesulfonic acid IUPAC Name: 1-(N-ethyl-3-hydroxy-4-nitrosoanilino)propane-1-sulfonic acid Traditional Name: 1-(N-ethyl-3-hydroxy-4-nitroso-anilino)propane-1-sulfonic acid Formula: C11H16N2O5S MolecularWeight: 288.32014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N(CC)C1=CC(=C(C=C1)N=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(N(CC)C1=CC(=C(C=C1)N=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H16N2O5S/c1-3-11(19(16,17)18)13(4-2)8-5-6-9(12-15)10(14)7-8/h5-7,11,14H,3-4H2,1-2H3,(H,16,17,18)