Analyte Name

Ecamsule-d4

Molecular Formula

C28 D4 H30 O8 S2

Molecular Weight

566.719

Accurate Mass

566.195

SMILES

[2H]c1c([2H])c(\C=C\2/C3CCC(CS(=O)(=O)O)(C2=O)C3(C)C)c([2H])c([2H])c1\C=C/4\C5CCC(CS(=O)(=O)O)(C4=O)C5(C)C

InChI

InChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13-,20-14+/i5D,6D,7D,8D

IUPAC

[(3E)-7,7-dimethyl-2-oxo-3-[[2,3,5,6-tetradeuterio-4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat