tetrasodium 7-oxidanidylperoxysulfanyl-3-[[3-[(3-oxidanidylperoxysulfanyl-6-sulfonato-naphthalen-2-yl)carbamoyl]-1H-pyrazol-5-yl]carbonylamino]naphthalene-2-sulfonate

Systemtic Name: tetrasodium 7-oxidanidylperoxysulfanyl-3-[[3-[(3-oxidanidylperoxysulfanyl-6-sulfonato-naphthalen-2-yl)carbamoyl]-1H-pyrazol-5-yl]carbonylamino]naphthalene-2-sulfonate Openeye Name: tetrasodium 7-oxidoperoxysulfanyl-3-[[3-[(3-oxidoperoxysulfanyl-6-sulfonato-2-naphthyl)carbamoyl]-1H-pyrazole-5-carbonyl]amino]naphthalene-2-sulfonate CAS Name: tetrasodium 7-(oxidodioxythio)-3-[[[3-[[[3-(oxidodioxythio)-6-sulfonato-2-naphthalenyl]amino]-oxomethyl]-1H-pyrazol-5-yl]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: tetrasodium 7-oxidoperoxysulfanyl-3-[[3-[(3-oxidoperoxysulfanyl-6-sulfonatonaphthalen-2-yl)carbamoyl]-1H-pyrazole-5-carbonyl]amino]naphthalene-2-sulfonate Traditional Name: tetrasodium 7-(oxidoperoxythio)-3-[[3-[[3-(oxidoperoxythio)-6-sulfonato-2-naphthyl]carbamoyl]-1H-pyrazole-5-carbonyl]amino]naphthalene-2-sulfonate Formula: C25H14N4Na4O14S4 MolecularWeight: 814.61614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=CC(=C(C=C21)NC(=O)C3=CC(=NN3)C(=O)NC4=C(C=C5C=C(C=CC5=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC2=CC(=C(C=C21)NC(=O)C3=CC(=NN3)C(=O)NC4=C(C=C5C=C(C=CC5=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H18N4O14S4.4Na/c30-24(26-18-7-13-2-4-17(46(34,35)36)6-15(13)9-22(18)45-43-41-33)20-11-21(29-28-20)25(31)27-19-8-12-1-3-16(44-42-40-32)5-14(12)10-23(19)47(37,38)39;;;;/h1-11,32-33H,(H,26,30)(H,27,31)(H,28,29)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4