Analyte Name

3,3'-Methylenedisalicylic Acid-13C12

Molecular Formula

13C12 C3 H12 O6

Molecular Weight

300.164

Accurate Mass

300.104

SMILES

O[13c]1[13c](C[13c]2[13cH][13cH][13cH][13c]([13c]2O)C(=O)O)[13cH][13cH][13cH][13c]1C(=O)O

InChI

InChI=1S/C15H12O6/c16-12-8(3-1-5-10(12)14(18)19)7-9-4-2-6-11(13(9)17)15(20)21/h1-6,16-17H,7H2,(H,18,19)(H,20,21)/i1+1,2+1,3+1,4+1,5+1,6+1,8+1,9+1,10+1,11+1,12+1,13+1

IUPAC

5-[(5-carboxy-6-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)methyl]-6-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid

Unlabelled CAS Number

5578-67-6

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat