(4Z)-4-[(E)-3-[5-carboxy-3-oxidanylidene-2-[2-sulfo-5-(trioxidanylsulfanyl)phenyl]-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxidanylidene-1-[2-sulfo-5-(trioxidanylsulfanyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: (4Z)-4-[(E)-3-[5-carboxy-3-oxidanylidene-2-[2-sulfo-5-(trioxidanylsulfanyl)phenyl]-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxidanylidene-1-[2-sulfo-5-(trioxidanylsulfanyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: (4Z)-4-[(E)-3-[5-carboxy-3-oxo-2-[2-sulfo-5-(trioxidanylsulfanyl)phenyl]-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-[2-sulfo-5-(trioxidanylsulfanyl)phenyl]pyrazole-3-carboxylic acid CAS Name: (4Z)-4-[(E)-3-[5-carboxy-3-oxo-2-[2-sulfo-5-(trioxidanylthio)phenyl]-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-[2-sulfo-5-(trioxidanylthio)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: (4Z)-4-[(E)-3-[5-carboxy-3-oxo-2-[2-sulfo-5-(trioxidanylsulfanyl)phenyl]-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-[2-sulfo-5-(trioxidanylsulfanyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: (4Z)-4-[(E)-3-[3-carboxy-5-keto-1-[2-sulfo-5-(trioxidanylthio)phenyl]-3-pyrazolin-4-yl]prop-2-enylidene]-5-keto-1-[2-sulfo-5-(trioxidanylthio)phenyl]-2-pyrazoline-3-carboxylic acid Formula: C23H16N4O18S4 MolecularWeight: 764.64914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SOOO)N2C(=O)C(=C(N2)C(=O)O)C=CC=C3C(=NN(C3=O)C4=C(C=CC(=C4)SOOO)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1SOOO)N2C(=O)C(=C(N2)C(=O)O)/C=C/C=C\3/C(=NN(C3=O)C4=C(C=CC(=C4)SOOO)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C23H16N4O18S4/c28-20-12(18(22(30)31)24-26(20)14-8-10(46-44-42-34)4-6-16(14)48(36,37)38)2-1-3-13-19(23(32)33)25-27(21(13)29)15-9-11(47-45-43-35)5-7-17(15)49(39,40)41/h1-9,24,34-35H,(H,30,31)(H,32,33)(H,36,37,38)(H,39,40,41)/b2-1+,13-3-