trisodium 7-[[4-[(4-nitrophenyl)diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]-3-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate

Systemtic Name: trisodium 7-[[4-[(4-nitrophenyl)diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]-3-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate Openeye Name: trisodium 7-[[4-(4-nitrophenyl)azo-6-sulfonato-1-naphthyl]azo]-3-oxidoperoxysulfanyl-naphthalene-1-sulfonate CAS Name: trisodium 7-[[4-(4-nitrophenyl)azo-6-sulfonato-1-naphthalenyl]azo]-3-(oxidodioxythio)-1-naphthalenesulfonate IUPAC Name: trisodium 7-[[4-[(4-nitrophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate Traditional Name: trisodium 7-[[4-(4-nitrophenyl)azo-6-sulfonato-1-naphthyl]azo]-3-(oxidoperoxythio)naphthalene-1-sulfonate Formula: C26H14N5Na3O11S3 MolecularWeight: 737.58057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC5=C(C=C(C=C5C=C4)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC5=C(C=C(C=C5C=C4)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H17N5O11S3.3Na/c32-31(33)18-5-3-16(4-6-18)27-30-25-10-9-24(21-8-7-20(14-23(21)25)44(35,36)37)29-28-17-2-1-15-11-19(43-42-41-34)13-26(22(15)12-17)45(38,39)40;;;/h1-14,34H,(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3