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(Q81991688)
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English
2-Butenedioic acid (2Z)-, diphenyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
268.073558864
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(C=CC(=O)Oc1ccccc1)Oc1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H12O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h1-12H
0 references
InChIKey
WTIFDVLCDRBEJK-UHFFFAOYSA-N
0 references
CAS Registry Number
7242-17-3
0 references
PubChem CID
111282
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WTIFDVLCDRBEJK-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL356194
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WTIFDVLCDRBEJK-UHFFFAOYSA-N
UniChem compound ID
24942582
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID2064602
1 reference
matched by identifier from
InChIKey
InChIKey
WTIFDVLCDRBEJK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1047310
0 references
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