N-[6-azanylperoxysulfanyl-7-[(2-phenoxy-6-pyridin-1-ium-1-yl-phenyl)diazenyl]naphthalen-1-yl]-4-hexyl-benzenesulfonamide

Systemtic Name: N-[6-azanylperoxysulfanyl-7-[(2-phenoxy-6-pyridin-1-ium-1-yl-phenyl)diazenyl]naphthalen-1-yl]-4-hexyl-benzenesulfonamide Openeye Name: N-[6-aminoperoxysulfanyl-7-(2-phenoxy-6-pyridin-1-ium-1-yl-phenyl)azo-1-naphthyl]-4-hexyl-benzenesulfonamide CAS Name: 5-[(4-hexylphenyl)sulfonylamino]-3-[2-phenoxy-6-(1-pyridin-1-iumyl)phenyl]azo-2-naphthalenesulfenic acid aminooxy ester IUPAC Name: N-[6-aminoperoxysulfanyl-7-[(2-phenoxy-6-pyridin-1-ium-1-ylphenyl)diazenyl]naphthalen-1-yl]-4-hexylbenzenesulfonamide Traditional Name: N-[6-(aminoperoxythio)-7-(2-phenoxy-6-pyridin-1-ium-1-yl-phenyl)azo-1-naphthyl]-4-hexyl-benzenesulfonamide Formula: C39H38N5O5S2+ MolecularWeight: 720.87952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=CC(=C(C=C32)N=NC4=C(C=CC=C4OC5=CC=CC=C5)[N+]6=CC=CC=C6)SOON

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=CC(=C(C=C32)N=NC4=C(C=CC=C4OC5=CC=CC=C5)[N+]6=CC=CC=C6)SOON

InChI

InChI=1S/C39H38N5O5S2/c1-2-3-4-7-14-29-21-23-32(24-22-29)51(45,46)43-34-18-12-15-30-27-38(50-49-48-40)35(28-33(30)34)41-42-39-36(44-25-10-6-11-26-44)19-13-20-37(39)47-31-16-8-5-9-17-31/h5-6,8-13,15-28,43H,2-4,7,14,40H2,1H3/q+1