disodium 4-[(2-butoxy-6-oxidanidylperoxysulfanyl-naphthalen-1-yl)diazenyl]benzenesulfonate

Systemtic Name: disodium 4-[(2-butoxy-6-oxidanidylperoxysulfanyl-naphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: disodium 4-[(2-butoxy-6-oxidoperoxysulfanyl-1-naphthyl)azo]benzenesulfonate CAS Name: disodium 4-[[2-butoxy-6-(oxidodioxythio)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: disodium 4-[(2-butoxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: disodium 4-[[2-butoxy-6-(oxidoperoxythio)-1-naphthyl]azo]besylate Formula: C20H18N2Na2O7S2 MolecularWeight: 508.47566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(C=C1)C=C(C=C2)SOO[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCOC1=C(C2=C(C=C1)C=C(C=C2)SOO[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H20N2O7S2.2Na/c1-2-3-12-27-19-11-4-14-13-16(30-29-28-23)7-10-18(14)20(19)22-21-15-5-8-17(9-6-15)31(24,25)26;;/h4-11,13,23H,2-3,12H2,1H3,(H,24,25,26);;/q;2*+1/p-2