7-(2H-benzotriazol-5-yldiazenyl)-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 7-(2H-benzotriazol-5-yldiazenyl)-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 7-(2H-benzotriazol-5-ylazo)-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 7-(2H-benzotriazol-5-ylazo)-3-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 7-(2H-benzotriazol-5-yldiazenyl)-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 7-(2H-benzotriazol-5-ylazo)-3-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C16H11N5O6S2 MolecularWeight: 433.41844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)SOOO)S(=O)(=O)O)N=NC3=CC4=NNN=C4C=C3

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)SOOO)S(=O)(=O)O)N=NC3=CC4=NNN=C4C=C3

InChI

InChI=1S/C16H11N5O6S2/c22-26-27-28-12-5-9-1-2-10(6-13(9)16(8-12)29(23,24)25)17-18-11-3-4-14-15(7-11)20-21-19-14/h1-8,22H,(H,19,20,21)(H,23,24,25)