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CHEBI:34581 - Bisphenol B

ChEBI IDCHEBI:34581
ChEBI NameBisphenol B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H18O2
Net Charge0
Average Mass242.318
Monoisotopic Mass242.13068
SMILESCCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3
InChIKeyHTVITOHKHWFJKO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Bisphenol B (CHEBI:34581) is a bisphenol (CHEBI:22901)
Synonyms  Source
4,4'-(1-Methylpropylidene)bisphenolKEGG COMPOUND
Bisphenol BKEGG COMPOUND
4,4'-Dihydroxy-2,2-diphenylbutaneKEGG COMPOUND
2,2-Bis(4-hydroxyphenyl)butaneKEGG COMPOUND
Manual XrefsDatabases
C14225KEGG COMPOUND
Registry NumbersSources
CAS:77-40-7KEGG COMPOUND