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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O7S
Molecular Weight 276.263
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-BUTYRYL-2,4-DIHYDROXYPHENYL HYDROGEN SULFATE

SMILES

CCCC(=O)C1=C(O)C=C(O)C(OS(O)(=O)=O)=C1

InChI

InChIKey=XXYXGCDUPNFZIT-UHFFFAOYSA-N
InChI=1S/C10H12O7S/c1-2-3-7(11)6-4-10(17-18(14,15)16)9(13)5-8(6)12/h4-5,12-13H,2-3H2,1H3,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C10H12O7S
Molecular Weight 276.263
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:30:41 GMT 2023
Edited
by admin
on Sat Dec 16 11:30:41 GMT 2023
Record UNII
2N42Y6L9C5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-BUTYRYL-2,4-DIHYDROXYPHENYL HYDROGEN SULFATE
Systematic Name English
BUTYROPHENONE, 2',4',5'-TRIHYDROXY-, 5'-(HYDROGEN SULFATE)
Systematic Name English
1-BUTANONE, 1-(2,4-DIHYDROXY-5-(SULFOOXY)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
2N42Y6L9C5
Created by admin on Sat Dec 16 11:30:41 GMT 2023 , Edited by admin on Sat Dec 16 11:30:41 GMT 2023
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PUBCHEM
122173938
Created by admin on Sat Dec 16 11:30:41 GMT 2023 , Edited by admin on Sat Dec 16 11:30:41 GMT 2023
PRIMARY
CAS
805980-79-4
Created by admin on Sat Dec 16 11:30:41 GMT 2023 , Edited by admin on Sat Dec 16 11:30:41 GMT 2023
PRIMARY