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(Q63408906)
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English
hexyl hexadecanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
wax monoester
0 references
mass
340.3341306479999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₄₄O₂
0 references
canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCC
0 references
Identifiers
InChI
InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3
0 references
InChIKey
IOVYZELOJXWQKD-UHFFFAOYSA-N
0 references
CAS Registry Number
42232-25-7
1 reference
InChIKey
IOVYZELOJXWQKD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=42232-25-7
PubChem CID
162505
1 reference
matched by identifier from
InChIKey
InChIKey
IOVYZELOJXWQKD-UHFFFAOYSA-N
ChEBI ID
196300
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3
SureChEMBL ID
SCHEMBL81331
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IOVYZELOJXWQKD-UHFFFAOYSA-N
UniChem compound ID
26567476
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP001780
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP001781
0 references
DSSTox substance ID
DTXSID4068373
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
IOVYZELOJXWQKD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3040069
0 references
AICS Chemical ID (BEING DELETED)
19241
0 references
UNII
HJ6R3S9A6H
1 reference
matched by identifier from
InChIKey
InChIKey
IOVYZELOJXWQKD-UHFFFAOYSA-N
LIPID MAPS ID
LMFA07010472
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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