Analyte Name

(2,3-Dichlorophenyl) alpha-Glucosinolate Potassium Salt

CAS Number

2162146-36-1

Molecular Formula

C13 H14 Cl2 K N O9 S2

Molecular Weight

502.386

Accurate Mass

500.912

SMILES

OC[C@H]1O[C@H](S\C(=N/OS(=O)(=O)O[K])\c2cccc(Cl)c2Cl)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C13H15Cl2NO9S2.K/c14-6-3-1-2-5(8(6)15)12(16-25-27(21,22)23)26-13-11(20)10(19)9(18)7(4-17)24-13;/h1-3,7,9-11,13,17-20H,4H2,(H,21,22,23);/q;+1/p-1/b16-12-;/t7-,9-,10+,11-,13-;/m1./s1

IUPAC

[(Z)-[(2,3-dichlorophenyl)-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylmethylidene]amino]oxysulfonyloxypotassium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat