2-amino-4,6-dinitrotoluene glucoside

Chemical Formula:

C₁₃H₁₇N₃O₉

Molecular Weight:

359.292 Daltons

Monoisotopic Mass:

361.11212922440006 Daltons

SMILES:

CC2(C(NC1(OC(CO)C(O)C(O)C(O)1))=CC([N+](=O)[O-])=CC([N+](=O)[O-])=2)

InChI:

1S/C13H17N3O9/c1-5-7(2-6(15(21)22)3-8(5)16(23)24)14-13-12(20)11(19)10(18)9(4-17)25-13/h2-3,9-14,17-20H,4H2,1H3/t9-,10-,11+,12-,13?/m1/s1

InChIKey:

CMGFICSLNOXZET-HENWMNBSSA-N

Synonyms

Databases

MetaCyc: CPD-10452

PubChem (CID): 90659228

MetaNetX: MNXM14193