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

Systemtic Name: 3-[(2-ethyl-3-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(2-ethyl-3-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(2-ethyl-3-methylanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(2-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(2-ethyl-3-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NCC(CS(=O)(=O)O)O)C

Isomeric SMILES

CCC1=C(C=CC=C1NCC(CS(=O)(=O)O)O)C

InChI

InChI=1S/C12H19NO4S/c1-3-11-9(2)5-4-6-12(11)13-7-10(14)8-18(15,16)17/h4-6,10,13-14H,3,7-8H2,1-2H3,(H,15,16,17)