Analyte Name

Prephenic Acid Barium Salt (Mixture of Diastereomers)

CAS Number

2931-08-0

Molecular Formula

C10H10BaO6

Molecular Weight

363.51

Accurate Mass

363.95

SMILES

OC1C=CC(C(O)=O)(C=C1)CC(C(O)=O)=O.[Ba]

InChI

InChI=1S/C10H10O6.Ba/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14;/h1-4,6,11H,5H2,(H,13,14)(H,15,16);

IUPAC

1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid, barium salt

Alternate CAS Number

Free Acid: 126-49-8

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat