tetrasodium 7-oxidanidylperoxysulfanyl-5-[[3-[(6-oxidanidylperoxysulfanyl-8-oxidanyl-3-sulfonato-naphthalen-1-yl)carbamoyl]phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: tetrasodium 7-oxidanidylperoxysulfanyl-5-[[3-[(6-oxidanidylperoxysulfanyl-8-oxidanyl-3-sulfonato-naphthalen-1-yl)carbamoyl]phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonate Openeye Name: tetrasodium 4-hydroxy-5-[[3-[(8-hydroxy-6-oxidoperoxysulfanyl-3-sulfonato-1-naphthyl)carbamoyl]benzoyl]amino]-7-oxidoperoxysulfanyl-naphthalene-2-sulfonate CAS Name: tetrasodium 4-hydroxy-5-[[[3-[[[8-hydroxy-6-(oxidodioxythio)-3-sulfonato-1-naphthalenyl]amino]-oxomethyl]phenyl]-oxomethyl]amino]-7-(oxidodioxythio)-2-naphthalenesulfonate IUPAC Name: tetrasodium 4-hydroxy-5-[[3-[(8-hydroxy-6-oxidoperoxysulfanyl-3-sulfonatonaphthalen-1-yl)carbamoyl]benzoyl]amino]-7-oxidoperoxysulfanylnaphthalene-2-sulfonate Traditional Name: tetrasodium 4-hydroxy-5-[[3-[[8-hydroxy-6-(oxidoperoxythio)-3-sulfonato-1-naphthyl]carbamoyl]benzoyl]amino]-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C28H16N2Na4O16S4 MolecularWeight: 856.64952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=CC(=CC3=CC(=CC(=C32)O)SOO[O-])S(=O)(=O)[O-])C(=O)NC4=C5C(=CC(=C4)SOO[O-])C=C(C=C5O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=CC(=CC3=CC(=CC(=C32)O)SOO[O-])S(=O)(=O)[O-])C(=O)NC4=C5C(=CC(=C4)SOO[O-])C=C(C=C5O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H20N2O16S4.4Na/c31-23-10-18(48-46-44-36)6-16-7-19(49(37,38)39)11-22(26(16)23)30-28(34)14-3-1-2-13(4-14)27(33)29-21-9-17(47-45-43-35)5-15-8-20(50(40,41)42)12-24(32)25(15)21;;;;/h1-12,31-32,35-36H,(H,29,33)(H,30,34)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4