2-[(4Z)-3-ethanoyl-4-[(2E,4E)-5-[3-ethanoyl-1-(2-methyl-5-oxidanidylperoxysulfanyl-phenyl)-5-oxidanidyl-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxidanylidene-pyrazol-1-yl]benzene-1,4-disulfonate

Systemtic Name: 2-[(4Z)-3-ethanoyl-4-[(2E,4E)-5-[3-ethanoyl-1-(2-methyl-5-oxidanidylperoxysulfanyl-phenyl)-5-oxidanidyl-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxidanylidene-pyrazol-1-yl]benzene-1,4-disulfonate Openeye Name: 2-[(4Z)-3-acetyl-4-[(2E,4E)-5-[3-acetyl-1-(2-methyl-5-oxidoperoxysulfanyl-phenyl)-5-oxido-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-pyrazol-1-yl]benzene-1,4-disulfonate CAS Name: 2-[(4Z)-3-acetyl-4-[(2E,4E)-5-[3-acetyl-1-[2-methyl-5-(oxidodioxythio)phenyl]-5-oxido-4-pyrazolyl]penta-2,4-dienylidene]-5-oxo-1-pyrazolyl]benzene-1,4-disulfonate IUPAC Name: 2-[(4Z)-3-acetyl-4-[(2E,4E)-5-[3-acetyl-1-(2-methyl-5-oxidoperoxysulfanylphenyl)-5-oxidopyrazol-4-yl]penta-2,4-dienylidene]-5-oxopyrazol-1-yl]benzene-1,4-disulfonate Traditional Name: 2-[(4Z)-3-acetyl-4-[(2E,4E)-5-[3-acetyl-1-[2-methyl-5-(oxidoperoxythio)phenyl]-5-oxido-pyrazol-4-yl]penta-2,4-dienylidene]-5-keto-2-pyrazolin-1-yl]benzene-1,4-disulfonate Formula: C28H20N4O13S3-4 MolecularWeight: 716.6724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SOO[O-])N2C(=C(C(=N2)C(=O)C)C=CC=CC=C3C(=NN(C3=O)C4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)SOO[O-])N2C(=C(C(=N2)C(=O)C)/C=C/C=C/C=C\3/C(=NN(C3=O)C4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C)[O-]

InChI

InChI=1S/C28H24N4O13S3/c1-15-9-10-18(46-45-44-37)13-22(15)31-27(35)20(25(29-31)16(2)33)7-5-4-6-8-21-26(17(3)34)30-32(28(21)36)23-14-19(47(38,39)40)11-12-24(23)48(41,42)43/h4-14,35,37H,1-3H3,(H,38,39,40)(H,41,42,43)/p-4/b6-4+,7-5+,21-8-