CAS Registry Number®
1246817-52-6
Molecular Formula
C12H20N2O7Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1246817-52-6 (retrieved ) (CAS RN: 1246817-52-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1/C12H20N2O7/c15-4-9(18)8(17)1-6-2-13-3-7(14-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2/t8-,9+,10+,11+,12+/s2/i2+1,3+1,6+1,7+1
InChIKey
InChIKey=MBHUNOHYVYVNIP-BRCZIWPZNA-N
SMILES
[C@@H]([C@@H]([C@@H](CO)O)O)(O)[13C]1=N[13C](C[C@@H]([C@@H](CO)O)O)=[13CH]N=[13CH]1
Canonical SMILES
OCC(O)C(O)CC=1N=C(C=NC1)C(O)C(O)C(O)CO
