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Details

Stereochemistry RACEMIC
Molecular Formula C18H30O3S
Molecular Weight 326.494
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of p-(3-Dodecyl)benzenesulfonic acid

SMILES

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

InChI

InChIKey=QJRVOJKLQNSNDB-UHFFFAOYSA-N
InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)

HIDE SMILES / InChI

Molecular Formula C18H30O3S
Molecular Weight 326.494
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
On the importance of topological descriptors in understanding structure-property relationships.
2008 Jun-Jul
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:31:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:31:08 GMT 2023
Record UNII
RM3PWQ3SCY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
p-(3-Dodecyl)benzenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 4-(1-ethyldecyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
RM3PWQ3SCY
Created by admin on Sat Dec 16 19:31:08 GMT 2023 , Edited by admin on Sat Dec 16 19:31:08 GMT 2023
PRIMARY
CAS
2212-50-2
Created by admin on Sat Dec 16 19:31:08 GMT 2023 , Edited by admin on Sat Dec 16 19:31:08 GMT 2023
PRIMARY
PUBCHEM
29249
Created by admin on Sat Dec 16 19:31:08 GMT 2023 , Edited by admin on Sat Dec 16 19:31:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID1058711
Created by admin on Sat Dec 16 19:31:08 GMT 2023 , Edited by admin on Sat Dec 16 19:31:08 GMT 2023
PRIMARY