Analyte Name

1,2-Benzenedicarboxylic Acid Mono(5-carboxy-2-ethyl-4-oxopentyl) Ester

CAS Number

88144-75-6

Molecular Formula

C16 H18 O7

Molecular Weight

322.31

Accurate Mass

322.105

SMILES

CCC(COC(=O)c1ccccc1C(=O)O)CC(=O)CC(=O)O

InChI

InChI=1S/C16H18O7/c1-2-10(7-11(17)8-14(18)19)9-23-16(22)13-6-4-3-5-12(13)15(20)21/h3-6,10H,2,7-9H2,1H3,(H,18,19)(H,20,21)

IUPAC

2-(5-carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat