2-[2,3-bis(bromanyl)propanoylamino]-4-methyl-5-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-[2,3-bis(bromanyl)propanoylamino]-4-methyl-5-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 2-(2,3-dibromopropanoylamino)-4-methyl-5-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 2-[(2,3-dibromo-1-oxopropyl)amino]-4-methyl-5-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 2-(2,3-dibromopropanoylamino)-4-methyl-5-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 2-(2,3-dibromopropanoylamino)-4-methyl-5-(trioxidanylthio)besylic acid Formula: C10H11Br2NO7S2 MolecularWeight: 481.13484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SOOO)S(=O)(=O)O)NC(=O)C(CBr)Br

Isomeric SMILES

CC1=CC(=C(C=C1SOOO)S(=O)(=O)O)NC(=O)C(CBr)Br

InChI

InChI=1S/C10H11Br2NO7S2/c1-5-2-7(13-10(14)6(12)4-11)9(22(16,17)18)3-8(5)21-20-19-15/h2-3,6,15H,4H2,1H3,(H,13,14)(H,16,17,18)