Dimethyl 4,4'-ethyne-1,2-diyldibenzoate (CHEBI:188797)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Dimethyl 4,4'-ethyne-1,2-diyldibenzoate

ChEBI ID	CHEBI:188797

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H14O4

Net Charge

Average Mass

294.306

Monoisotopic Mass

294.08921

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

InChIKey

HVBNYTAAHLESOR-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(OC)=O)C

Metabolite of Species	Details
Phyllostachys violascens (NCBI:txid1903417)	Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study

ChEBI Ontology
Outgoing	Dimethyl 4,4'-ethyne-1,2-diyldibenzoate (CHEBI:188797) is a benzoate ester (CHEBI:36054)

IUPAC Name

methyl 4-[2-(4-methoxycarbonylphenyl)ethynyl]benzoate