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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14O5S
Molecular Weight 246.28
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-TERT-BUTYL-4-HYDROXYPHENYL SULFATE

SMILES

CC(C)(C)C1=C(O)C=CC(OS(O)(=O)=O)=C1

InChI

InChIKey=XWORSCCDYLGUGA-UHFFFAOYSA-N
InChI=1S/C10H14O5S/c1-10(2,3)8-6-7(4-5-9(8)11)15-16(12,13)14/h4-6,11H,1-3H3,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula C10H14O5S
Molecular Weight 246.28
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 Mon Mar 31 23:09:32 GMT 2025
Edited
by admin
on Mon Mar 31 23:09:32 GMT 2025
Record UNII
1C9AK5WN6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-BENZENEDIOL, 2-(1,1-DIMETHYLETHYL)-, 4-(HYDROGEN SULFATE)
Preferred Name English
3-TERT-BUTYL-4-HYDROXYPHENYL SULFATE
Systematic Name English
3-(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL HYDROGEN SULFATE
Systematic Name English
3-TERT-BUTYL-4-HYDROXYPHENYL HYDROGEN SULFATE
Systematic Name English
Code System Code Type Description
PUBCHEM
117587604
Created by admin on Mon Mar 31 23:09:33 GMT 2025 , Edited by admin on Mon Mar 31 23:09:33 GMT 2025
PRIMARY
CAS
1072455-70-9
Created by admin on Mon Mar 31 23:09:33 GMT 2025 , Edited by admin on Mon Mar 31 23:09:33 GMT 2025
PRIMARY
FDA UNII
1C9AK5WN6A
Created by admin on Mon Mar 31 23:09:33 GMT 2025 , Edited by admin on Mon Mar 31 23:09:33 GMT 2025
PRIMARY