RefMet Compound Details

MW structure154042 (View MW Metabolite Database details)
RefMet namePhenolsulfonphthalein
Alternative namePhenol red
Systematic name3,3-Bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
SMILESc1ccc2c(c1)C(c1ccc(cc1)O)(c1ccc(cc1)O)OS2(=O)=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass354.056195 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC19H14O5SView other entries in RefMet with this formula
InChIKeyBELBBZDIHDAJOR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassBenzofuranones
Sub ClassBenzofuranones
Pubchem CID4766
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)