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

Systemtic Name: disodium 4-[[6-oxidanidylperoxysulfanyl-2-(4-oxidanylidenebutoxy)naphthalen-1-yl]diazenyl]benzenesulfonate Openeye Name: disodium 4-[[6-oxidoperoxysulfanyl-2-(4-oxobutoxy)-1-naphthyl]azo]benzenesulfonate CAS Name: disodium 4-[[6-(oxidodioxythio)-2-(4-oxobutoxy)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: disodium 4-[[6-oxidoperoxysulfanyl-2-(4-oxobutoxy)naphthalen-1-yl]diazenyl]benzenesulfonate Traditional Name: disodium 4-[[2-(4-ketobutoxy)-6-(oxidoperoxythio)-1-naphthyl]azo]besylate Formula: C20H16N2Na2O8S2 MolecularWeight: 522.45918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)SOO[O-])OCCCC=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)SOO[O-])OCCCC=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H18N2O8S2.2Na/c23-11-1-2-12-28-19-10-3-14-13-16(31-30-29-24)6-9-18(14)20(19)22-21-15-4-7-17(8-5-15)32(25,26)27;;/h3-11,13,24H,1-2,12H2,(H,25,26,27);;/q;2*+1/p-2