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

Systemtic Name: disodium 4-[[6-oxidanidylperoxysulfanyl-2-(4-oxidanylidenepentoxy)naphthalen-1-yl]diazenyl]benzenesulfonate Openeye Name: disodium 4-[[6-oxidoperoxysulfanyl-2-(4-oxopentoxy)-1-naphthyl]azo]benzenesulfonate CAS Name: disodium 4-[[6-(oxidodioxythio)-2-(4-oxopentoxy)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: disodium 4-[[6-oxidoperoxysulfanyl-2-(4-oxopentoxy)naphthalen-1-yl]diazenyl]benzenesulfonate Traditional Name: disodium 4-[[2-(4-ketopentoxy)-6-(oxidoperoxythio)-1-naphthyl]azo]besylate Formula: C21H18N2Na2O8S2 MolecularWeight: 536.48576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCOC1=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

CC(=O)CCCOC1=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/C21H20N2O8S2.2Na/c1-14(24)3-2-12-29-20-11-4-15-13-17(32-31-30-25)7-10-19(15)21(20)23-22-16-5-8-18(9-6-16)33(26,27)28;;/h4-11,13,25H,2-3,12H2,1H3,(H,26,27,28);;/q;2*+1/p-2