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English
trans-4-Propylcyclohexanecarboxylic acid 4-(pentyloxy)phenyl ester
chemical compound
4-n-Pentyloxyphenyl 4-trans-propylcyclohexanecarboxylate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₂₁H₃₂O₃
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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
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InChIKey
IPMUTUVKXHUGPA-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
56359-71-8
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PubChem CID
105550
1 reference
matched by identifier from
InChIKey
InChIKey
IPMUTUVKXHUGPA-UHFFFAOYSA-N
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
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