6-methyl-4-(methylamino)-5-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: 6-methyl-4-(methylamino)-5-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 5-hydroxy-6-methyl-4-(methylamino)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 5-hydroxy-6-methyl-4-(methylamino)-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-6-methyl-4-(methylamino)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 5-hydroxy-6-methyl-4-(methylamino)-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C12H13NO7S2 MolecularWeight: 347.36412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=C(C2=C1O)NC)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=C(C=C2C=C(C=C(C2=C1O)NC)S(=O)(=O)O)SOOO

InChI

InChI=1S/C12H13NO7S2/c1-6-10(21-20-19-15)4-7-3-8(22(16,17)18)5-9(13-2)11(7)12(6)14/h3-5,13-15H,1-2H3,(H,16,17,18)