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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O3S
Molecular Weight 242.335
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentyl toluene-4-sulfonate

SMILES

CCCCCOS(=O)(=O)C1=CC=C(C)C=C1

InChI

InChIKey=KOUCTZDKTJGHSS-UHFFFAOYSA-N
InChI=1S/C12H18O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H18O3S
Molecular Weight 242.335
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 Tue Apr 01 19:28:26 GMT 2025
Edited
by admin
on Tue Apr 01 19:28:26 GMT 2025
Record UNII
DW5VSZ3H8S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenesulfonic acid, 4-methyl-, pentyl ester
Preferred Name English
Pentyl toluene-4-sulfonate
Systematic Name English
Benzenesulphonic acid, 4-methyl-, pentyl ester
Systematic Name English
Pentyl 4-methylbenzenesulfonate
Systematic Name English
Pentyl toluene-4-sulphonate
Systematic Name English
Pentyl 4-methylbenzenesulphonate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
224-693-6
Created by admin on Tue Apr 01 19:28:26 GMT 2025 , Edited by admin on Tue Apr 01 19:28:26 GMT 2025
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FDA UNII
DW5VSZ3H8S
Created by admin on Tue Apr 01 19:28:26 GMT 2025 , Edited by admin on Tue Apr 01 19:28:26 GMT 2025
PRIMARY
PUBCHEM
78195
Created by admin on Tue Apr 01 19:28:26 GMT 2025 , Edited by admin on Tue Apr 01 19:28:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID30196203
Created by admin on Tue Apr 01 19:28:26 GMT 2025 , Edited by admin on Tue Apr 01 19:28:26 GMT 2025
PRIMARY
CAS
4450-76-4
Created by admin on Tue Apr 01 19:28:26 GMT 2025 , Edited by admin on Tue Apr 01 19:28:26 GMT 2025
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