CAS Registry Number®

1246817-52-6
No image available.

Molecular Formula

C12H20N2O7

Cite 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 2024-07-02) (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