2-azanyl-5-methyl-3-(sulfanylmethyl)benzenesulfonic acid

Systemtic Name: 2-azanyl-5-methyl-3-(sulfanylmethyl)benzenesulfonic acid Openeye Name: 2-amino-5-methyl-3-(sulfanylmethyl)benzenesulfonic acid CAS Name: 2-amino-3-(mercaptomethyl)-5-methylbenzenesulfonic acid IUPAC Name: 2-amino-5-methyl-3-(sulfanylmethyl)benzenesulfonic acid Traditional Name: 2-amino-3-(mercaptomethyl)-5-methyl-besylic acid Formula: C8H11NO3S2 MolecularWeight: 233.30784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)O)N)CS

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)O)N)CS

InChI

InChI=1S/C8H11NO3S2/c1-5-2-6(4-13)8(9)7(3-5)14(10,11)12/h2-3,13H,4,9H2,1H3,(H,10,11,12)