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Details

Stereochemistry ACHIRAL
Molecular Formula C22H28O7S2.2Na
Molecular Weight 514.563
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Disodium 5-decyl-2-(4-sulfonatophenoxy)benzenesulfonate

SMILES

[Na+].[Na+].CCCCCCCCCCC1=CC(=C(OC2=CC=C(C=C2)S([O-])(=O)=O)C=C1)S([O-])(=O)=O

InChI

InChIKey=JQGNEDZMVHLNMX-UHFFFAOYSA-L
InChI=1S/C22H30O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-18-11-16-21(22(17-18)31(26,27)28)29-19-12-14-20(15-13-19)30(23,24)25;;/h11-17H,2-10H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H28O7S2
Molecular Weight 468.584
Charge -2
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 13:40:50 GMT 2025
Edited
by admin
on Wed Apr 02 13:40:50 GMT 2025
Record UNII
555X555RWE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Disodium 5-decyl-2-(4-sulfonatophenoxy)benzenesulfonate
Systematic Name English
5-decyl-2-(4-sulfonatophenoxy)benzenesulfonic acid, disodium salt
Preferred Name English
Benzenesulfonic acid, 5-decyl-2-(4-sulfophenoxy)-, disodium salt
Systematic Name English
Benzenesulfonic acid, 5-decyl-2-(4-sulfophenoxy)-, sodium salt (1:2)
Common Name English
Code System Code Type Description
PUBCHEM
101614825
Created by admin on Wed Apr 02 13:40:50 GMT 2025 , Edited by admin on Wed Apr 02 13:40:50 GMT 2025
PRIMARY
CAS
139749-18-1
Created by admin on Wed Apr 02 13:40:50 GMT 2025 , Edited by admin on Wed Apr 02 13:40:50 GMT 2025
PRIMARY
FDA UNII
555X555RWE
Created by admin on Wed Apr 02 13:40:50 GMT 2025 , Edited by admin on Wed Apr 02 13:40:50 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE