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(Q81997912)
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English
Cyclohexanecarboxylic acid, 4-propyl-, 4-(pentyloxy)phenyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
332.23514488399996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCOc1ccc(OC(=O)C2CCC(CCC)CC2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H32O3/c1-3-5-6-16-23-19-12-14-20(15-13-19)24-21(22)18-10-8-17(7-4-2)9-11-18/h12-15,17-18H,3-11,16H2,1-2H3
0 references
InChIKey
IPMUTUVKXHUGPA-UHFFFAOYSA-N
0 references
CAS Registry Number
67679-52-1
1 reference
InChIKey
IPMUTUVKXHUGPA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=67679-52-1
PubChem CID
105550
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IPMUTUVKXHUGPA-UHFFFAOYSA-N
UniChem compound ID
26568030
1 reference
stated in
UniChem
NMRShiftDB structure ID
20209691
1 reference
matched by identifier from
InChIKey
InChIKey
IPMUTUVKXHUGPA-UHFFFAOYSA-N
DSSTox substance ID
DTXSID1070565
1 reference
matched by identifier from
InChIKey
InChIKey
IPMUTUVKXHUGPA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2044977
0 references
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