Analyte Name

Hexadecyl 2,2-Difluoro-2-((4-nitrophenyl)thio)acetate-13C2

Molecular Formula

C27 H31 N O11

Molecular Weight

545.535

Accurate Mass

545.19

SMILES

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(O)CO

InChI

InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13+,15-,16?,17-,22-,27-/m0/s1

SIL Type

Carbon

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat