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Product Overview

Product Code

TRC-R317005

Product Format

Neat

Molecular Formula

C31 H23 K3 N4 O8 S2

Molecular Weight

760.961

Product Categories

Additional Neuro Products, TRC

Alternate CAS Number

Free acid: 254451-41-7; Na salt: 135806-37-0; TEA salt: 254451-42-8

Documentation

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Product Information

Chemical Data

Analyte Name

4-[4,5-Dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-3-phenyl-2,4-pentadienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-benzenesulfonic Acid Potassium Salt

Molecular Formula

C31 H23 K3 N4 O8 S2

Molecular Weight

760.961

Accurate Mass

759.987

SMILES

CC1=NN(C(=O)/C/1=C/C=C(/C=C/c2c(C)nn(c2O[K])c3ccc(cc3)S(=O)(=O)O[K])\c4ccccc4)c5ccc(cc5)S(=O)(=O)O[K]

InChI

InChI=1S/C31H26N4O8S2.3K/c1-20-28(30(36)34(32-20)24-10-14-26(15-11-24)44(38,39)40)18-8-23(22-6-4-3-5-7-22)9-19-29-21(2)33-35(31(29)37)25-12-16-27(17-13-25)45(41,42)43;;;/h3-19,36H,1-2H3,(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3/b18-8+,23-9-,29-19+;;;

IUPAC

[4-[3-methyl-4-[(1E,3Z,5E)-5-[3-methyl-5-oxo-1-(4-potassiooxysulfonylphenyl)pyrazol-4-ylidene]-3-phenylpenta-1,3-dienyl]-5-potassiooxypyrazol-1-yl]phenyl]sulfonyloxypotassium

Alternate CAS Number

Free acid: 254451-41-7; Na salt: 135806-37-0; TEA salt: 254451-42-8;

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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RH 155 Potassium Salt

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