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(Q82785196)
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English
4-Pentylphenyl 3-fluoro-4-(octyloxy)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
414.25702319999994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₅FO₃
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canonical SMILES
CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC)F
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Identifiers
InChI
InChI=1S/C26H35FO3/c1-3-5-7-8-9-11-19-29-25-18-15-22(20-24(25)27)26(28)30-23-16-13-21(14-17-23)12-10-6-4-2/h13-18,20H,3-12,19H2,1-2H3
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InChIKey
ZSEWIKBABQINTP-UHFFFAOYSA-N
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CAS Registry Number
62435-34-1
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PubChem CID
71386434
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UniChem compound ID
47385843
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40808608
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DSSTOX compound identifier
DTXCID70759351
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