(S,E)-1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl-d6 Methanesulfonate

Analyte Name

(S,E)-1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl-d6 Methanesulfonate

Molecular Formula

C30 D6 H24 Cl N O4 S

Molecular Weight

542.119

Accurate Mass

541.196

SMILES

[2H]C([2H])([2H])C(O)(c1ccccc1CC[C@H](OS(=O)(=O)C)c2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)C([2H])([2H])[2H]

InChI

InChI=1S/C30H30ClNO4S/c1-30(2,33)27-10-5-4-8-22(27)14-18-29(36-37(3,34)35)24-9-6-7-21(19-24)11-16-26-17-13-23-12-15-25(31)20-28(23)32-26/h4-13,15-17,19-20,29,33H,14,18H2,1-3H3/b16-11+/t29-/m0/s1/i1D3,2D3

IUPAC

[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)phenyl]propyl] methanesulfonate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat