disodium 2-[4-[[2-acetamido-4-(2-oxidanidylperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate

Systemtic Name: disodium 2-[4-[[2-acetamido-4-(2-oxidanidylperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate Openeye Name: disodium 2-[4-[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]azophenyl]sulfonylethyl sulfate CAS Name: disodium 2-[4-[2-acetamido-4-[2-(oxidodioxythio)oxyethylamino]phenyl]azophenyl]sulfonylethyl sulfate IUPAC Name: disodium 2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate Traditional Name: disodium 2-[4-[2-acetamido-4-[2-(oxidoperoxythio)oxyethylamino]phenyl]azophenyl]sulfonylethyl sulfate Formula: C18H20N4Na2O11S3 MolecularWeight: 610.54614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NCCOSOO[O-])N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NCCOSOO[O-])N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H22N4O11S3.2Na/c1-13(23)20-18-12-15(19-8-9-30-34-33-32-24)4-7-17(18)22-21-14-2-5-16(6-3-14)35(25,26)11-10-31-36(27,28)29;;/h2-7,12,19,24H,8-11H2,1H3,(H,20,23)(H,27,28,29);;/q;2*+1/p-2