7-[(4-azanyl-3-methyl-phenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 7-[(4-azanyl-3-methyl-phenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 7-(4-amino-3-methyl-phenyl)azo-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 7-(4-amino-3-methylphenyl)azo-3-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 7-[(4-amino-3-methylphenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 7-(4-amino-3-methyl-phenyl)azo-3-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C17H15N3O6S2 MolecularWeight: 421.4475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)SOOO)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)SOOO)S(=O)(=O)O)N

InChI

InChI=1S/C17H15N3O6S2/c1-10-6-12(4-5-16(10)18)19-20-13-3-2-11-7-14(27-26-25-21)9-17(15(11)8-13)28(22,23)24/h2-9,21H,18H2,1H3,(H,22,23,24)