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Details

Stereochemistry ACHIRAL
Molecular Formula C18H30NO3S.Na
Molecular Weight 363.49
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 5-amino-2-dodecylbenzenesulfonate

SMILES

[Na+].CCCCCCCCCCCCC1=CC=C(N)C=C1S([O-])(=O)=O

InChI

InChIKey=YWFTUCSGHSJLFY-UHFFFAOYSA-M
InChI=1S/C18H31NO3S.Na/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);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C18H30NO3S
Molecular Weight 340.501
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 20:20:56 GMT 2023
Edited
by admin
on Sat Dec 16 20:20:56 GMT 2023
Record UNII
LYG4H4988D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 5-amino-2-dodecylbenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 5-amino-2-dodecyl-, sodium salt
Common Name English
Benzenesulfonic acid, 5-amino-2-dodecyl-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
CAS
94199-51-6
Created by admin on Sat Dec 16 20:20:56 GMT 2023 , Edited by admin on Sat Dec 16 20:20:56 GMT 2023
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FDA UNII
LYG4H4988D
Created by admin on Sat Dec 16 20:20:56 GMT 2023 , Edited by admin on Sat Dec 16 20:20:56 GMT 2023
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PUBCHEM
23662631
Created by admin on Sat Dec 16 20:20:56 GMT 2023 , Edited by admin on Sat Dec 16 20:20:56 GMT 2023
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ECHA (EC/EINECS)
303-424-7
Created by admin on Sat Dec 16 20:20:56 GMT 2023 , Edited by admin on Sat Dec 16 20:20:56 GMT 2023
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EPA CompTox
DTXSID30240937
Created by admin on Sat Dec 16 20:20:56 GMT 2023 , Edited by admin on Sat Dec 16 20:20:56 GMT 2023
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