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Details

Stereochemistry ACHIRAL
Molecular Formula C7H3N3O8
Molecular Weight 257.114
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRINITROBENZOIC ACID

SMILES

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

InChI

InChIKey=KAQBNBSMMVTKRN-UHFFFAOYSA-N
InChI=1S/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C7H3N3O8
Molecular Weight 257.114
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
134ID308V9
Record Status Validated (UNII)
Record Version