CHEBI:79721 - Bisphenol A bis(2-hydroxypropyl) ether

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bisphenol A bis(2-hydroxypropyl) ether
ChEBI ID CHEBI:79721
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H28O4
Net Charge 0
Average Mass 344.44460
Monoisotopic Mass 344.19876
InChI InChI=1S/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3
InChIKey MIUUNYUUEFHIHM-UHFFFAOYSA-N
SMILES CC(O)COc1ccc(cc1)C(C)(C)c1ccc(OCC(C)O)cc1
ChEBI Ontology
Outgoing Bisphenol A bis(2-hydroxypropyl) ether (CHEBI:79721) is a diarylmethane (CHEBI:51614)
Synonyms Sources
2,2-Bis[4-(2-hydroxy-2-methylethoxy)phenyl]propane KEGG COMPOUND
Bisphenol A propoxylate KEGG COMPOUND
Manual Xref Database
C15208 KEGG COMPOUND
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Registry Number Type Source
116-37-0 CAS Registry Number KEGG COMPOUND