Analyte Name

(S,E)-3-Methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxacyclotetradecine-14,16-diyl bis(2,2,2-trichloroethyl) bis(Sulfate)

CAS Number

1439329-47-1

Molecular Formula

C22 H24 Cl6 O11 S2

Molecular Weight

741.267

Accurate Mass

737.889

SMILES

C[C@H]1CCCC(=O)CCC\C=C\c2cc(OS(=O)(=O)OCC(Cl)(Cl)Cl)cc(OS(=O)(=O)OCC(Cl)(Cl)Cl)c2C(=O)O1

InChI

InChI=1S/C22H24Cl6O11S2/c1-14-6-5-9-16(29)8-4-2-3-7-15-10-17(38-40(31,32)35-12-21(23,24)25)11-18(19(15)20(30)37-14)39-41(33,34)36-13-22(26,27)28/h3,7,10-11,14H,2,4-6,8-9,12-13H2,1H3/b7-3+/t14-/m0/s1

IUPAC

[(4S,12E)-4-methyl-2,8-dioxo-16-(2,2,2-trichloroethoxysulfonyloxy)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraen-18-yl] 2,2,2-trichloroethyl sulfate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat