4-[(2,2-dimethyl-3-oxidanyl-propyl)amino]benzenesulfonic acid

Systemtic Name: 4-[(2,2-dimethyl-3-oxidanyl-propyl)amino]benzenesulfonic acid Openeye Name: 4-[(3-hydroxy-2,2-dimethyl-propyl)amino]benzenesulfonic acid CAS Name: 4-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonic acid IUPAC Name: 4-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonic acid Traditional Name: 4-[(3-hydroxy-2,2-dimethyl-propyl)amino]besylic acid Formula: C11H17NO4S MolecularWeight: 259.32198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)O)CO

Isomeric SMILES

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)O)CO

InChI

InChI=1S/C11H17NO4S/c1-11(2,8-13)7-12-9-3-5-10(6-4-9)17(14,15)16/h3-6,12-13H,7-8H2,1-2H3,(H,14,15,16)