trinitrotoluene

[1. Abbreviation for trinitrotoluene.

Molecular Formula: C₇H₅N₃O₆

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

InChIKey: InChIKey=SPSSULHKWOKEEL-UHFFFAOYAZ
SMILES: Cc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O

CAS number 118-96-7

Names:
    Benzene, 2-methyl-1,3,5-trinitro-
    TNT
    Toluene, 2,4,6-trinitro-
    trinitrotoluene
    α-TNT
    2,4,6-TNT
    2,4,6-trinitrotoluene
    2,4,6-Trinitrotoluol
    2-methyl-1,3,5-trinitro-benzene

Registries:
    PubChem CID 8376
    CAS 118-96-7 (from NIST)
    ChEBI 19337
    PubChem ID 10450807