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Details

Stereochemistry ACHIRAL
Molecular Formula C18H31NO3S
Molecular Weight 341.509
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Amino-2-dodecylbenzenesulfonic acid

SMILES

CCCCCCCCCCCCC1=C(C=C(N)C=C1)S(O)(=O)=O

InChI

InChIKey=BGUREQRVHBTMGK-UHFFFAOYSA-N
InChI=1S/C18H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)23(20,21)22/h13-15H,2-12,19H2,1H3,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C18H31NO3S
Molecular Weight 341.509
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 Wed Apr 02 21:23:15 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:15 GMT 2025
Record UNII
7A73R797QV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Amino-2-dodecylbenzenesulphonic acid
Preferred Name English
5-Amino-2-dodecylbenzenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 5-amino-2-dodecyl-
Systematic Name English
Code System Code Type Description
CAS
80822-87-3
Created by admin on Wed Apr 02 21:23:15 GMT 2025 , Edited by admin on Wed Apr 02 21:23:15 GMT 2025
PRIMARY
FDA UNII
7A73R797QV
Created by admin on Wed Apr 02 21:23:15 GMT 2025 , Edited by admin on Wed Apr 02 21:23:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID801001542
Created by admin on Wed Apr 02 21:23:15 GMT 2025 , Edited by admin on Wed Apr 02 21:23:15 GMT 2025
PRIMARY
PUBCHEM
3018963
Created by admin on Wed Apr 02 21:23:15 GMT 2025 , Edited by admin on Wed Apr 02 21:23:15 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT