disodium 2-methyl-5-[[3-methyl-1-[4-(2-oxidanidylperoxysulfanyloxyethylperoxysulfanyl)phenyl]-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Systemtic Name: disodium 2-methyl-5-[[3-methyl-1-[4-(2-oxidanidylperoxysulfanyloxyethylperoxysulfanyl)phenyl]-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Openeye Name: disodium 2-methyl-5-[[3-methyl-1-[4-(2-oxidoperoxysulfanyloxyethylperoxysulfanyl)phenyl]-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate CAS Name: disodium 2-methyl-5-[[3-methyl-1-[4-[2-(oxidodioxythio)oxyethyldioxythio]phenyl]-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate IUPAC Name: disodium 2-methyl-5-[[3-methyl-1-[4-(2-oxidoperoxysulfanyloxyethylperoxysulfanyl)phenyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Traditional Name: disodium 5-[[5-keto-3-methyl-1-[4-[2-(oxidoperoxythio)oxyethylperoxythio]phenyl]-2-pyrazolin-4-yl]azo]-2-methyl-besylate Formula: C19H18N4Na2O10S3 MolecularWeight: 604.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)SOOCCOSOO[O-])C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)SOOCCOSOO[O-])C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H20N4O10S3.2Na/c1-12-3-4-14(11-17(12)36(26,27)28)20-21-18-13(2)22-23(19(18)24)15-5-7-16(8-6-15)34-32-29-9-10-30-35-33-31-25;;/h3-8,11,18,25H,9-10H2,1-2H3,(H,26,27,28);;/q;2*+1/p-2