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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14O3S
Molecular Weight 214.281
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-TERT-BUTYLBENZENESULFONIC ACID

SMILES

CC(C)(C)C1=CC=C(C=C1)S(O)(=O)=O

InChI

InChIKey=LZQMCUIWYRQLOG-UHFFFAOYSA-N
InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C10H14O3S
Molecular Weight 214.281
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 11:37:19 GMT 2023
Edited
by admin
on Sat Dec 16 11:37:19 GMT 2023
Record UNII
YV1D0UF57S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-TERT-BUTYLBENZENESULFONIC ACID
Systematic Name English
NSC-290811
Code English
BENZENESULFONIC ACID, 4-(1,1-DIMETHYLETHYL)-
Systematic Name English
4-TERT-BUTYLBENZENE-1-SULFONIC ACID
Systematic Name English
TERT-BUTYLBENZENE-4-SULPHONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
YV1D0UF57S
Created by admin on Sat Dec 16 11:37:19 GMT 2023 , Edited by admin on Sat Dec 16 11:37:19 GMT 2023
PRIMARY
DRUG BANK
DB07440
Created by admin on Sat Dec 16 11:37:19 GMT 2023 , Edited by admin on Sat Dec 16 11:37:19 GMT 2023
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NSC
290811
Created by admin on Sat Dec 16 11:37:19 GMT 2023 , Edited by admin on Sat Dec 16 11:37:19 GMT 2023
PRIMARY
CAS
1133-17-1
Created by admin on Sat Dec 16 11:37:19 GMT 2023 , Edited by admin on Sat Dec 16 11:37:19 GMT 2023
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EPA CompTox
DTXSID80314995
Created by admin on Sat Dec 16 11:37:19 GMT 2023 , Edited by admin on Sat Dec 16 11:37:19 GMT 2023
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PUBCHEM
324690
Created by admin on Sat Dec 16 11:37:19 GMT 2023 , Edited by admin on Sat Dec 16 11:37:19 GMT 2023
PRIMARY