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(Q82006021)
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English
2-Ethyloctadecanoic acid
chemical compound
Octadecanoic acid, 2-ethyl-
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
312.30283052
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₄₀O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCCCCCC(CC)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
0 references
InChIKey
OHIOERKSFVRABL-UHFFFAOYSA-N
0 references
CAS Registry Number
615559-86-9
reason for deprecated rank
cannot be confirmed by other sources
0 references
14276-80-3
1 reference
InChIKey
OHIOERKSFVRABL-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=14276-80-3
PubChem CID
85708
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
26481266
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90275821
0 references
DTXSID40884740
0 references
DSSTOX compound identifier
DTXCID20227191
0 references
DTXCID60876228
0 references
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