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(Q82276964)
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English
1,4-Benzenedicarboxylic acid, butyl methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
236.2642
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆O₄
0 references
canonical SMILES
CCCCOC(=O)C1=CC=C(C=C1)C(=O)OC
0 references
Identifiers
InChI
InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-7-5-10(6-8-11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
0 references
InChIKey
QLQUJFWQAAVXQO-UHFFFAOYSA-N
0 references
CAS Registry Number
52392-55-9
0 references
PubChem CID
11096590
1 reference
matched by identifier from
InChIKey
InChIKey
QLQUJFWQAAVXQO-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL6057132
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QLQUJFWQAAVXQO-UHFFFAOYSA-N
UniChem compound ID
25689851
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50455102
1 reference
matched by identifier from
InChIKey
InChIKey
QLQUJFWQAAVXQO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10405921
0 references
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