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English
benzyl heptanoate
chemical compound
benzyl enanthate
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
Benzyl heptanoate.svg
417 × 136; 10 KB
0 references
mass
220.14632988
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₂₀O₂
0 references
canonical SMILES
CCCCCCC(=O)OCC1=CC=CC=C1
0 references
Identifiers
InChI
InChI=1S/C14H20O2/c1-2-3-4-8-11-14(15)16-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
0 references
InChIKey
UEDDAJQIHUEZCJ-UHFFFAOYSA-N
0 references
CAS Registry Number
5454-21-7
1 reference
InChIKey
UEDDAJQIHUEZCJ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5454-21-7
PubChem CID
79554
1 reference
matched by identifier from
InChIKey
InChIKey
UEDDAJQIHUEZCJ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL2457043
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UEDDAJQIHUEZCJ-UHFFFAOYSA-N
UniChem compound ID
17476708
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP009065
0 references
DSSTox substance ID
DTXSID20202963
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
UEDDAJQIHUEZCJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50125454
0 references
NSC number
23059
0 references
Sitelinks
Wikipedia
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eowiki
Benzila heptanato
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