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

Systemtic Name: tetrasodium 7-oxidanidylperoxysulfanyl-5-[[3-[(6-oxidanidylperoxysulfanyl-8-oxidanyl-3-sulfonato-naphthalen-1-yl)carbamoyl]phenyl]sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonate Openeye Name: tetrasodium 4-hydroxy-5-[[3-[(8-hydroxy-6-oxidoperoxysulfanyl-3-sulfonato-1-naphthyl)carbamoyl]phenyl]sulfonylamino]-7-oxidoperoxysulfanyl-naphthalene-2-sulfonate CAS Name: tetrasodium 4-hydroxy-5-[[3-[[[8-hydroxy-6-(oxidodioxythio)-3-sulfonato-1-naphthalenyl]amino]-oxomethyl]phenyl]sulfonylamino]-7-(oxidodioxythio)-2-naphthalenesulfonate IUPAC Name: tetrasodium 4-hydroxy-5-[[3-[(8-hydroxy-6-oxidoperoxysulfanyl-3-sulfonatonaphthalen-1-yl)carbamoyl]phenyl]sulfonylamino]-7-oxidoperoxysulfanylnaphthalene-2-sulfonate Traditional Name: tetrasodium 4-hydroxy-5-[[3-[[8-hydroxy-6-(oxidoperoxythio)-3-sulfonato-1-naphthyl]carbamoyl]phenyl]sulfonylamino]-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C27H16N2Na4O17S5 MolecularWeight: 892.70322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=C3C(=CC(=C2)SOO[O-])C=C(C=C3O)S(=O)(=O)[O-])C(=O)NC4=CC(=CC5=CC(=CC(=C54)O)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=C3C(=CC(=C2)SOO[O-])C=C(C=C3O)S(=O)(=O)[O-])C(=O)NC4=CC(=CC5=CC(=CC(=C54)O)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H20N2O17S5.4Na/c30-23-10-17(48-46-44-34)5-14-7-19(50(37,38)39)11-21(25(14)23)28-27(32)13-2-1-3-18(6-13)49(35,36)29-22-9-16(47-45-43-33)4-15-8-20(51(40,41)42)12-24(31)26(15)22;;;;/h1-12,29-31,33-34H,(H,28,32)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4