Analyte Name

rac-trans-1,2-Cyclohexanedicarboxylic Acid Mono 4-Methyl-7-carboxy-heptyl Ester

Molecular Formula

C17 H28 O6

Molecular Weight

328.401

Accurate Mass

328.189

SMILES

CC(CCCOC(=O)[C@H]1CCCC[C@@H]1C(=O)O)CCCC(=O)O

InChI

InChI=1S/C17H28O6/c1-12(6-4-10-15(18)19)7-5-11-23-17(22)14-9-3-2-8-13(14)16(20)21/h12-14H,2-11H2,1H3,(H,18,19)(H,20,21)/t12?,13-,14-/m0/s1

IUPAC

(1S,2S)-2-(7-carboxy-4-methylheptoxy)carbonylcyclohexane-1-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat