Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
CAS Registry Number®
141109-15-1
CAS Name
Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)Molecular Formula
C9H10ClNO2.C4H6O6Cite this Page
Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=141109-15-1 (retrieved ) (CAS RN: 141109-15-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C9H10ClNO2.C4H6O6/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;5-1(3(7)8)2(6)4(9)10/h2-5,8H,11H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t8-;1-,2-/m01/s1
InChIKey
InChIKey=FVKGOSHITUHKGR-YIDNRZKSSA-N
SMILES
[C@H](C(OC)=O)(N)C1=C(Cl)C=CC=C1.[C@@H]([C@H](C(O)=O)O)(C(O)=O)O
Canonical SMILES
O=C(O)C(O)C(O)C(=O)O.O=C(OC)C(N)C=1C=CC=CC1Cl
Other Names for this Substance
- Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
- Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (+)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
Deleted or Replaced CAS Registry Numbers
934504-75-3, 1621094-99-2, 2581970-30-9