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Details

Stereochemistry ACHIRAL
Molecular Formula C22H15O5.K
Molecular Weight 398.4498
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Potassium 4-(1,3-Dioxo-3-phenylpropyl)-3-hydroxyphenyl benzoate

SMILES

[K+].[O-]C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1C(=O)CC(=O)C3=CC=CC=C3

InChI

InChIKey=IJKLVIDAISTSRB-UHFFFAOYSA-M
InChI=1S/C22H16O5.K/c23-19(15-7-3-1-4-8-15)14-21(25)18-12-11-17(13-20(18)24)27-22(26)16-9-5-2-6-10-16;/h1-13,24H,14H2;/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Potassium 4-(1,3-Dioxo-3-phenylpropyl)-3-hydroxyphenyl benzoate
Systematic Name English
1,3-Propanedione, 1-[4-(benzoyloxy)-2-hydroxyphenyl]-3-phenyl-, potassium salt
Systematic Name English
4-(1,3-Dioxo-3-phenylpropyl)-3-hydroxyphenyl benzoate, potassium salt
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
302-545-2
Created by admin on Sat Dec 16 12:17:57 GMT 2023 , Edited by admin on Sat Dec 16 12:17:57 GMT 2023
PRIMARY
FDA UNII
747Q7CYW4P
Created by admin on Sat Dec 16 12:17:57 GMT 2023 , Edited by admin on Sat Dec 16 12:17:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID10240637
Created by admin on Sat Dec 16 12:17:57 GMT 2023 , Edited by admin on Sat Dec 16 12:17:57 GMT 2023
PRIMARY
CAS
94110-06-2
Created by admin on Sat Dec 16 12:17:57 GMT 2023 , Edited by admin on Sat Dec 16 12:17:57 GMT 2023
PRIMARY
PUBCHEM
44152602
Created by admin on Sat Dec 16 12:17:57 GMT 2023 , Edited by admin on Sat Dec 16 12:17:57 GMT 2023
PRIMARY
NIH
NCATS
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