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(Q82006297)
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Q82865674
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English
4-cyanophenyl 4'-(2-methylbutyl)biphenyl-4-carboxylate
chemical compound
[1,1'-Biphenyl]-4-carboxylic acid, 4'-(2-methylbutyl)-, 4-cyanophenyl ester
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
369.172878976
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₂₃NO₂
0 references
canonical SMILES
CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N
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Identifiers
InChI
InChI=1S/C25H23NO2/c1-3-18(2)16-19-4-8-21(9-5-19)22-10-12-23(13-11-22)25(27)28-24-14-6-20(17-26)7-15-24/h4-15,18H,3,16H2,1-2H3
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InChIKey
KSTDUUFIIKDDDT-UHFFFAOYSA-N
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CAS Registry Number
117629-99-9
reason for deprecated rank
withdrawn identifier value
0 references
65238-19-9
1 reference
InChIKey
KSTDUUFIIKDDDT-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=65238-19-9
PubChem CID
103485
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
27008284
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60275999
0 references
DTXSID30886753
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DSSTOX compound identifier
DTXCID80227359
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DTXCID70221821
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