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No label defined
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
254.2245802
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₃₀O₂
0 references
canonical SMILES
CC/C=C\CCOC(=O)CCCCCCCCC
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCCCCCCCCC(=O)OCC/C=C\CC
0 references
Identifiers
InChI
InChI=1S/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8H,3-5,7,9-15H2,1-2H3/b8-6-
0 references
InChIKey
APSRJAGZYONPLL-VURMDHGXSA-N
0 references
CAS Registry Number
85554-69-4
1 reference
InChIKey
APSRJAGZYONPLL-VURMDHGXSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=85554-69-4
PubChem CID
5367684
1 reference
matched by identifier from
InChIKey
InChIKey
APSRJAGZYONPLL-VURMDHGXSA-N
UniChem compound ID
58809303
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP007204
0 references
DSSTox substance ID
DTXSID10893869
1 reference
matched by identifier from
InChIKey
InChIKey
APSRJAGZYONPLL-VURMDHGXSA-N
DSSTOX compound identifier
DTXCID901323907
0 references
FL number
09.567
1 reference
quotation
CAS no.: 85554-69-4
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.567
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