tetrapotassium 2-[5-carboxy-4-[(Z)-[3-carboxy-1-(2-oxidanidylperoxysulfanyl-5-sulfonato-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]-3-oxidanylidene-1H-pyrazol-2-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: tetrapotassium 2-[5-carboxy-4-[(Z)-[3-carboxy-1-(2-oxidanidylperoxysulfanyl-5-sulfonato-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]-3-oxidanylidene-1H-pyrazol-2-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: tetrapotassium 2-[5-carboxy-4-[(Z)-[3-carboxy-1-(2-oxidoperoxysulfanyl-5-sulfonato-phenyl)-5-oxo-pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: tetrapotassium 2-[5-carboxy-4-[(Z)-[3-carboxy-1-[2-(oxidodioxythio)-5-sulfonatophenyl]-5-oxo-4-pyrazolylidene]methyl]-3-oxo-1H-pyrazol-2-yl]-4-(oxidodioxythio)benzenesulfonate IUPAC Name: tetrapotassium 2-[5-carboxy-4-[(Z)-[3-carboxy-1-(2-oxidoperoxysulfanyl-5-sulfonatophenyl)-5-oxopyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: tetrapotassium 2-[3-carboxy-4-[(Z)-[3-carboxy-5-keto-1-[2-(oxidoperoxythio)-5-sulfonato-phenyl]-2-pyrazolin-4-ylidene]methyl]-5-keto-3-pyrazolin-1-yl]-4-(oxidoperoxythio)besylate Formula: C21H10K4N4O18S4 MolecularWeight: 890.9733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SOO[O-])N2C(=O)C(=C(N2)C(=O)O)C=C3C(=NN(C3=O)C4=C(C=CC(=C4)S(=O)(=O)[O-])SOO[O-])C(=O)O)S(=O)(=O)[O-].[K+].[K+].[K+].[K+]

Isomeric SMILES

C1=CC(=C(C=C1SOO[O-])N2C(=O)C(=C(N2)C(=O)O)/C=C\3/C(=NN(C3=O)C4=C(C=CC(=C4)S(=O)(=O)[O-])SOO[O-])C(=O)O)S(=O)(=O)[O-].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C21H14N4O18S4.4K/c26-18-10(16(20(28)29)22-24(18)12-6-9(46(34,35)36)2-3-14(12)45-43-41-33)7-11-17(21(30)31)23-25(19(11)27)13-5-8(44-42-40-32)1-4-15(13)47(37,38)39;;;;/h1-7,23,32-33H,(H,28,29)(H,30,31)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4/b10-7-;;;;