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(Q1879)
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Statements
instance of
group of stereoisomers
0 references
SMILES (without stereochemistry)
CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O
0 references
chemical formula
C₁₁H₁₂I₃NO₂
1 reference
based on heuristic
inferred from SMILES
mass
570.9323
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
1 reference
based on heuristic
inferred from SMILES
InChIKey
OIRFJRBSRORBCM-UHFFFAOYSA-N
0 references
PubChem CID
3735
1 reference
based on heuristic
inferred from InChIKey
part of
VHP4Safety compounds
0 references
Wikidata Q identifier
Q1672108
0 references
CAS Registry Number
96-83-3
0 references