Analyte Name

Bisphenol A Di(methyl-d3) Bis(diphenyl Phosphate)

Molecular Formula

C39H28D6O8P2

Molecular Weight

698.68

Accurate Mass

698.21

SMILES

O=P(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC(C=C3)=CC=C3C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C4=CC=C(OP(OC5=CC=CC=C5)(OC6=CC=CC=C6)=O)C=C4

InChI

InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3/i1D3,2D3

IUPAC

tetraphenyl ((propane-2,2-diyl-1,1,1,3,3,3-d6)bis(4,1-phenylene)) bis(phosphate)

Unlabelled CAS Number

5945-33-5

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Analytical Method

HPLC