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(Q82701970)
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English
4-(Heptyloxy)phenyl 4-[(4-cyanophenyl)methoxy]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
443.20965840799994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₂₉NO₄
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canonical SMILES
CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N
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Identifiers
InChI
InChI=1S/C28H29NO4/c1-2-3-4-5-6-19-31-25-15-17-27(18-16-25)33-28(30)24-11-13-26(14-12-24)32-21-23-9-7-22(20-29)8-10-23/h7-18H,2-6,19,21H2,1H3
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InChIKey
HATAMMXVHWZLBN-UHFFFAOYSA-N
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CAS Registry Number
89046-14-0
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PubChem CID
71321744
1 reference
matched by identifier from
InChIKey
InChIKey
HATAMMXVHWZLBN-UHFFFAOYSA-N
UniChem compound ID
45153022
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30751518
1 reference
matched by identifier from
InChIKey
InChIKey
HATAMMXVHWZLBN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30702262
0 references
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