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(Q63409404)
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English
2-dodecylisoindole-1,3-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
315.219829168
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₉NO₂
0 references
canonical SMILES
CCCCCCCCCCCCN1C(=O)C2=CC=CC=C2C1=O
0 references
Identifiers
InChI
InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-13-16-21-19(22)17-14-11-12-15-18(17)20(21)23/h11-12,14-15H,2-10,13,16H2,1H3
0 references
InChIKey
LFUHZZBSKQGQKA-UHFFFAOYSA-N
0 references
CAS Registry Number
27646-77-1
0 references
PubChem CID
3618908
1 reference
matched by identifier from
InChIKey
InChIKey
LFUHZZBSKQGQKA-UHFFFAOYSA-N
UniChem compound ID
24319920
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP004189
0 references
DSSTox substance ID
DTXSID40394359
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
LFUHZZBSKQGQKA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30345219
0 references
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