2-[(4Z)-3-ethanoyl-4-[(2E,4E)-5-[5-ethanoyl-2-[2-methyl-5-(trioxidanylsulfanyl)phenyl]-3-oxidanylidene-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxidanylidene-pyrazol-1-yl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[(4Z)-3-ethanoyl-4-[(2E,4E)-5-[5-ethanoyl-2-[2-methyl-5-(trioxidanylsulfanyl)phenyl]-3-oxidanylidene-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxidanylidene-pyrazol-1-yl]benzene-1,4-disulfonic acid Openeye Name: 2-[(4Z)-3-acetyl-4-[(2E,4E)-5-[5-acetyl-2-[2-methyl-5-(trioxidanylsulfanyl)phenyl]-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-pyrazol-1-yl]benzene-1,4-disulfonic acid CAS Name: 2-[(4Z)-3-acetyl-4-[(2E,4E)-5-[5-acetyl-2-[2-methyl-5-(trioxidanylthio)phenyl]-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxo-1-pyrazolyl]benzene-1,4-disulfonic acid IUPAC Name: 2-[(4Z)-3-acetyl-4-[(2E,4E)-5-[5-acetyl-2-[2-methyl-5-(trioxidanylsulfanyl)phenyl]-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-oxopyrazol-1-yl]benzene-1,4-disulfonic acid Traditional Name: 2-[(4Z)-3-acetyl-4-[(2E,4E)-5-[3-acetyl-5-keto-1-[2-methyl-5-(trioxidanylthio)phenyl]-3-pyrazolin-4-yl]penta-2,4-dienylidene]-5-keto-2-pyrazolin-1-yl]benzene-1,4-disulfonic acid Formula: C28H24N4O13S3 MolecularWeight: 720.70416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SOOO)N2C(=O)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

Isomeric SMILES

CC1=C(C=C(C=C1)SOOO)N2C(=O)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

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/h4-14,29,37H,1-3H3,(H,38,39,40)(H,41,42,43)/b6-4+,7-5+,21-8-