tetrapotassium 2-[5-methoxycarbonyl-4-[(1E,3E,5Z)-5-[3-methoxycarbonyl-1-(5-oxidanidylperoxysulfanyl-2-sulfonato-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxidanylidene-1H-pyrazol-2-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: tetrapotassium 2-[5-methoxycarbonyl-4-[(1E,3E,5Z)-5-[3-methoxycarbonyl-1-(5-oxidanidylperoxysulfanyl-2-sulfonato-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxidanylidene-1H-pyrazol-2-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: tetrapotassium 2-[5-methoxycarbonyl-4-[(1E,3E,5Z)-5-[3-methoxycarbonyl-1-(5-oxidoperoxysulfanyl-2-sulfonato-phenyl)-5-oxo-pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: tetrapotassium 2-[5-methoxycarbonyl-4-[(1E,3E,5Z)-5-[3-methoxycarbonyl-1-[5-(oxidodioxythio)-2-sulfonatophenyl]-5-oxo-4-pyrazolylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]-4-(oxidodioxythio)benzenesulfonate IUPAC Name: tetrapotassium 2-[5-methoxycarbonyl-4-[(1E,3E,5Z)-5-[3-methoxycarbonyl-1-(5-oxidoperoxysulfanyl-2-sulfonatophenyl)-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: tetrapotassium 2-[3-carbomethoxy-4-[(1E,3E,5Z)-5-[3-carbomethoxy-5-keto-1-[5-(oxidoperoxythio)-2-sulfonato-phenyl]-2-pyrazolin-4-ylidene]penta-1,3-dienyl]-5-keto-3-pyrazolin-1-yl]-4-(oxidoperoxythio)besylate Formula: C27H18K4N4O18S4 MolecularWeight: 971.10102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)N(N1)C2=C(C=CC(=C2)SOO[O-])S(=O)(=O)[O-])C=CC=CC=C3C(=NN(C3=O)C4=C(C=CC(=C4)SOO[O-])S(=O)(=O)[O-])C(=O)OC.[K+].[K+].[K+].[K+]

Isomeric SMILES

COC(=O)C1=C(C(=O)N(N1)C2=C(C=CC(=C2)SOO[O-])S(=O)(=O)[O-])/C=C/C=C/C=C\3/C(=NN(C3=O)C4=C(C=CC(=C4)SOO[O-])S(=O)(=O)[O-])C(=O)OC.[K+].[K+].[K+].[K+]

InChI

InChI=1S/C27H22N4O18S4.4K/c1-44-26(34)22-16(24(32)30(28-22)18-12-14(50-48-46-36)8-10-20(18)52(38,39)40)6-4-3-5-7-17-23(27(35)45-2)29-31(25(17)33)19-13-15(51-49-47-37)9-11-21(19)53(41,42)43;;;;/h3-13,28,36-37H,1-2H3,(H,38,39,40)(H,41,42,43);;;;/q;4*+1/p-4/b5-3+,6-4+,17-7-;;;;