Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
2N42Y6L9C5
Record Status Validated
Record Version
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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
Created by admin on Wed Aug 04 06:03:31 EDT 2021
Edited by admin on Wed Aug 04 06:03:31 EDT 2021
Structure of 5-BUTYRYL-2,4-DIHYDROXYPHENYL HYDROGEN SULFATE

Systematic Names:

  • None recorded

SMILES

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

InChI

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)
Name Type Language Details Access References
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 Access References
CAS
805980-79-4
Created by admin on Wed Aug 04 06:03:31 EDT 2021 , Edited by admin on Wed Aug 04 06:03:31 EDT 2021
PRIMARY
FDA UNII
2N42Y6L9C5
Created by admin on Wed Aug 04 06:03:31 EDT 2021 , Edited by admin on Wed Aug 04 06:03:31 EDT 2021
PRIMARY
PUBCHEM
122173938
Created by admin on Wed Aug 04 06:03:31 EDT 2021 , Edited by admin on Wed Aug 04 06:03:31 EDT 2021
PRIMARY
Created Wed Aug 04 06:03:31 EDT 2021
Created By admin
Last Edited Wed Aug 04 06:03:31 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 SRS import [2N42Y6L9C5] SRS NOMEN Fri Apr 28 15:32:49 EDT 2017
2 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 06:03:31 EDT 2021
3 STN SRS NOMEN
4 cfsan SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
5 PUBCHEM PUBCHEM
6 SRS CODE IMPORT SRS NOMEN Fri Apr 28 15:32:49 EDT 2017
7 STN STN (SCIFINDER)

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