4-azanyl-3-methoxy-5-methyl-benzenesulfonic acid

Systemtic Name: 4-azanyl-3-methoxy-5-methyl-benzenesulfonic acid Openeye Name: 4-amino-3-methoxy-5-methyl-benzenesulfonic acid CAS Name: 4-amino-3-methoxy-5-methylbenzenesulfonic acid IUPAC Name: 4-amino-3-methoxy-5-methylbenzenesulfonic acid Traditional Name: 4-amino-3-methoxy-5-methyl-besylic acid Formula: C8H11NO4S MolecularWeight: 217.24224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)OC)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1N)OC)S(=O)(=O)O

InChI

InChI=1S/C8H11NO4S/c1-5-3-6(14(10,11)12)4-7(13-2)8(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)