2,4,6-trinitrotoluene

Chemical Formula:

C₇H₅N₃O₆

Molecular Weight:

227.133 Daltons

Monoisotopic Mass:

230.041310005 Daltons

SMILES:

CC1(C([N+](=O)[O-])=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)

InChI:

1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3

InChIKey:

SPSSULHKWOKEEL-UHFFFAOYSA-N

Databases

MetaCyc: CPD-9138

DRUGBANK: DB01676

ChemSpider: 8073

PubChem (CID): 8376

KEGG: C16391

ChEBI: 46053

RefMet: 2,4,6-Trinitrotoluene

Seed: cpd15097

MetaNetX: MNXM3440