Analyte Name

Bisphenol A Monosulfate Disodium-13C12

Molecular Formula

13C12 C3 H14 Na2 O5 S

Molecular Weight

364.225

Accurate Mass

364.076

SMILES

CC(C)([13c]1[13cH][13cH][13c](O[Na])[13cH][13cH]1)[13c]2[13cH][13cH][13c](OS(=O)(=O)O[Na])[13cH][13cH]2

InChI

InChI=1S/C15H16O5S.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(10-6-12)20-21(17,18)19;;/h3-10,16H,1-2H3,(H,17,18,19);;/q;2*+1/p-2/i3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1;;

IUPAC

[4-[2-(4-sodiooxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)propan-2-yl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]oxysulfonyloxysodium

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat