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

Systemtic Name: tetrasodium 7-oxidanidylperoxysulfanyl-5-[[6-[(6-oxidanidylperoxysulfanyl-8-oxidanyl-3-sulfonato-naphthalen-1-yl)carbamoyl]pyridin-2-yl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonate Openeye Name: tetrasodium 4-hydroxy-5-[[6-[(8-hydroxy-6-oxidoperoxysulfanyl-3-sulfonato-1-naphthyl)carbamoyl]pyridine-2-carbonyl]amino]-7-oxidoperoxysulfanyl-naphthalene-2-sulfonate CAS Name: tetrasodium 4-hydroxy-5-[[[6-[[[8-hydroxy-6-(oxidodioxythio)-3-sulfonato-1-naphthalenyl]amino]-oxomethyl]-2-pyridinyl]-oxomethyl]amino]-7-(oxidodioxythio)-2-naphthalenesulfonate IUPAC Name: tetrasodium 4-hydroxy-5-[[6-[(8-hydroxy-6-oxidoperoxysulfanyl-3-sulfonatonaphthalen-1-yl)carbamoyl]pyridine-2-carbonyl]amino]-7-oxidoperoxysulfanylnaphthalene-2-sulfonate Traditional Name: tetrasodium 4-hydroxy-5-[[6-[[8-hydroxy-6-(oxidoperoxythio)-3-sulfonato-1-naphthyl]carbamoyl]picolinoyl]amino]-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C27H15N3Na4O16S4 MolecularWeight: 857.63758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=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(=NC(=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/C27H19N3O16S4.4Na/c31-22-9-15(48-46-44-36)5-13-6-16(49(37,38)39)10-21(25(13)22)30-27(34)19-3-1-2-18(28-19)26(33)29-20-8-14(47-45-43-35)4-12-7-17(50(40,41)42)11-23(32)24(12)20;;;;/h1-11,31-32,35-36H,(H,29,33)(H,30,34)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4