Analyte Name

2-Bromo-1,6-dimethyl Ester Hexanedioic Acid

CAS Number

3196-19-8

Molecular Formula

C16 H18 N O10 S . Na

Molecular Weight

439.37

Accurate Mass

439.055

SMILES

[Na+].CC1=CC(=O)Oc2cc(O[C@@H]3OC(CO)[C@H](O)C(O)C3NS(=O)(=O)[O-])ccc12

InChI

InChI=1S/C16H19NO10S.Na/c1-7-4-12(19)26-10-5-8(2-3-9(7)10)25-16-13(17-28(22,23)24)15(21)14(20)11(6-18)27-16;/h2-5,11,13-18,20-21H,6H2,1H3,(H,22,23,24);/q;+1/p-1/t11?,13?,14-,15?,16+;/m0./s1

IUPAC

sodium;N-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]sulfamate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat