tetrasodium 3-[5-azanyl-3-methyl-4-[2-[2-(3-oxidanidylperoxysulfanyl-5-sulfonato-phenyl)carbonylimino-3-oxidanylidene-pyridin-4-yl]hydrazinyl]pyrazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: tetrasodium 3-[5-azanyl-3-methyl-4-[2-[2-(3-oxidanidylperoxysulfanyl-5-sulfonato-phenyl)carbonylimino-3-oxidanylidene-pyridin-4-yl]hydrazinyl]pyrazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: tetrasodium 3-[5-amino-3-methyl-4-[2-[2-(3-oxidoperoxysulfanyl-5-sulfonato-benzoyl)imino-3-oxo-4-pyridyl]hydrazino]pyrazol-1-yl]-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: tetrasodium 3-[5-amino-3-methyl-4-[[2-[[3-(oxidodioxythio)-5-sulfonatophenyl]-oxomethyl]imino-3-oxo-4-pyridinyl]hydrazo]-1-pyrazolyl]-4-(oxidodioxythio)benzenesulfonate IUPAC Name: tetrasodium 3-[5-amino-3-methyl-4-[2-[2-(3-oxidoperoxysulfanyl-5-sulfonatobenzoyl)imino-3-oxopyridin-4-yl]hydrazinyl]pyrazol-1-yl]-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: tetrasodium 3-[5-amino-4-[N'-[3-keto-2-[3-(oxidoperoxythio)-5-sulfonato-benzoyl]imino-4-pyridyl]hydrazino]-3-methyl-pyrazol-1-yl]-4-(oxidoperoxythio)besylate Formula: C22H15N7Na4O14S4 MolecularWeight: 821.61208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1NNC2=CC=NC(=NC(=O)C3=CC(=CC(=C3)S(=O)(=O)[O-])SOO[O-])C2=O)N)C4=C(C=CC(=C4)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=C1NNC2=CC=NC(=NC(=O)C3=CC(=CC(=C3)S(=O)(=O)[O-])SOO[O-])C2=O)N)C4=C(C=CC(=C4)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H19N7O14S4.4Na/c1-10-18(20(23)29(28-10)16-9-13(46(34,35)36)2-3-17(16)45-43-41-33)27-26-15-4-5-24-21(19(15)30)25-22(31)11-6-12(44-42-40-32)8-14(7-11)47(37,38)39;;;;/h2-9,26-27,32-33H,23H2,1H3,(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4