Analyte Name

5,14-Dehydro Etoricoxib

CAS Number

855307-79-8

Molecular Formula

C18 H13 Cl N2 O2 S

Molecular Weight

356.826

Accurate Mass

356.039

SMILES

Cc1cc2c3cc(ccc3c4cc(Cl)cnc4c2cn1)S(=O)(=O)C

InChI

InChI=1S/C18H13ClN2O2S/c1-10-5-14-15-7-12(24(2,22)23)3-4-13(15)16-6-11(19)8-21-18(16)17(14)9-20-10/h3-9H,1-2H3

IUPAC

3-chloro-10-methyl-7-methylsulfonylbenzo[f][1,9]phenanthroline

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat