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

Systemtic Name: 3-[(2-methyl-5-oxidanyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(5-hydroxy-2-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(5-hydroxy-2-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(5-hydroxy-2-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(5-hydroxy-2-methyl-anilino)propane-1-sulfonic acid Formula: C10H15NO4S MolecularWeight: 245.2954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)O)NCCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)O)NCCCS(=O)(=O)O

InChI

InChI=1S/C10H15NO4S/c1-8-3-4-9(12)7-10(8)11-5-2-6-16(13,14)15/h3-4,7,11-12H,2,5-6H2,1H3,(H,13,14,15)