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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5N3O6
Molecular Weight 227.1311
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRINITROTOLUENE

SMILES

CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C7H5N3O6
Molecular Weight 227.1311
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
H43RF5TRM5
Record Status Validated (UNII)
Record Version