Analyte Name

Dicloxacilloic Acid

CAS Number

42947-69-3

Molecular Formula

C19H19Cl2N3O6S

Molecular Weight

488.34

Accurate Mass

487.04

SMILES

ClC1=CC=CC(Cl)=C1C2=NOC(C)=C2C(N[C@@H]([C@H]3SC(C)([C@@H](N3)C(O)=O)C)C(O)=O)=O

InChI

InChI=1S/C19H19Cl2N3O6S/c1-7-10(12(24-30-7)11-8(20)5-4-6-9(11)21)15(25)22-13(17(26)27)16-23-14(18(28)29)19(2,3)31-16/h4-6,13-14,16,23H,1-3H3,(H,22,25)(H,26,27)(H,28,29)/t13-,14-,16+/m0/s1

IUPAC

(2R,4S)-2-((R)-carboxy(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat