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(Q82123479)
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English
benzoic acid, 4,4'-(1,2-ethynediyl)bis-, dimethyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
294.08920892799995
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₄O₄
0 references
canonical SMILES
COC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC
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Identifiers
InChI
InChI=1S/C18H14O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,1-2H3
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InChIKey
HVBNYTAAHLESOR-UHFFFAOYSA-N
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CAS Registry Number
16882-08-9
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PubChem CID
638187
1 reference
matched by identifier from
InChIKey
InChIKey
HVBNYTAAHLESOR-UHFFFAOYSA-N
ChEBI ID
188797
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H14O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,1-2H3
UniChem compound ID
34379547
1 reference
stated in
UniChem
NMRShiftDB structure ID
10017267
1 reference
matched by identifier from
InChIKey
InChIKey
HVBNYTAAHLESOR-UHFFFAOYSA-N
DSSTox substance ID
DTXSID20348552
1 reference
matched by identifier from
InChIKey
InChIKey
HVBNYTAAHLESOR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50299624
0 references
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