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(Q82554152)
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English
Ethyl 8-oxo-8-{4-[(thiomorpholin-4-yl)methyl]phenyl}octanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
377.202464852
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₁NO₃S
0 references
canonical SMILES
CCOC(=O)CCCCCCC(=O)C1=CC=C(C=C1)CN2CCSCC2
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Identifiers
InChI
InChI=1S/C21H31NO3S/c1-2-25-21(24)8-6-4-3-5-7-20(23)19-11-9-18(10-12-19)17-22-13-15-26-16-14-22/h9-12H,2-8,13-17H2,1H3
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InChIKey
YPGCXTFFQJDWOK-UHFFFAOYSA-N
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CAS Registry Number
898783-41-0
1 reference
InChIKey
YPGCXTFFQJDWOK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=898783-41-0
PubChem CID
24724553
1 reference
matched by identifier from
InChIKey
InChIKey
YPGCXTFFQJDWOK-UHFFFAOYSA-N
UniChem compound ID
24762677
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30642952
1 reference
matched by identifier from
InChIKey
InChIKey
YPGCXTFFQJDWOK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80593703
0 references
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