disodium 7-[(4-azanyl-3-methyl-phenyl)diazenyl]-3-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate

Systemtic Name: disodium 7-[(4-azanyl-3-methyl-phenyl)diazenyl]-3-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate Openeye Name: disodium 7-(4-amino-3-methyl-phenyl)azo-3-oxidoperoxysulfanyl-naphthalene-1-sulfonate CAS Name: disodium 7-(4-amino-3-methylphenyl)azo-3-(oxidodioxythio)-1-naphthalenesulfonate IUPAC Name: disodium 7-[(4-amino-3-methylphenyl)diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate Traditional Name: disodium 7-(4-amino-3-methyl-phenyl)azo-3-(oxidoperoxythio)naphthalene-1-sulfonate Formula: C17H13N3Na2O6S2 MolecularWeight: 465.41116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)SOO[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)SOO[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C17H15N3O6S2.2Na/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);;/q;2*+1/p-2