CAS Registry Number: 65985-10-6

Name:

Benzeneacetic acid, 2-​(ethoxycarbonyl)​-​3-​hydroxy-​, ethyl ester
Ethyl 2-​(2-​ethoxy-​2-​oxoethyl)​-​6-​hydroxybenzoate 

Chemical Formula: C13H16O5
Exact Mass: 252.10
Molecular Weight: 252.26
m/z: 252.10 (100.0%), 253.10 (14.3%), 254.10 (1.0%)

InChI: InChI=1S/C15H12O6/c1-15-13(21-15)12(20-14(15)17)8-5-7-3-4-11(16)19-9(7)6-10(8)18-2/h3-6,12-13H,1-2H3/t12-,13-,15-/m0/s1
InChIKey: VIORQNDMAWQQCV-YDHLFZDLSA-N
Canonical SMILES : CC12C(O1)C(OC2=O)C3=C(C=C4C(=C3)C=CC(=O)O4)OC
Isomeric SMILES: C[C@@]12[C@@H](O1)[C@@H](OC2=O)C3=C(C=C4C(=C3)C=CC(=O)O4)OC

Specification

98%

PCT Int. Appl. (2009), WO 2009145721 A1 20091203.

PCT Int. Appl. (2009), WO 2009145718 A1 20091203.