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(Q82644850)
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English
4-Ethynylphenyl 4-(hexyloxy)benzoate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
322.1568945639999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂O₃
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canonical SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#C
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Identifiers
InChI
InChI=1S/C21H22O3/c1-3-5-6-7-16-23-19-14-10-18(11-15-19)21(22)24-20-12-8-17(4-2)9-13-20/h2,8-15H,3,5-7,16H2,1H3
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InChIKey
PQHZHJUQEDCUJA-UHFFFAOYSA-N
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CAS Registry Number
142663-56-7
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PubChem CID
54202623
1 reference
matched by identifier from
InChIKey
InChIKey
PQHZHJUQEDCUJA-UHFFFAOYSA-N
UniChem compound ID
25727266
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10709739
1 reference
matched by identifier from
InChIKey
InChIKey
PQHZHJUQEDCUJA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60660487
0 references
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