U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H40O7S2.2Na
Molecular Weight 598.723
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM MONOCETYL PHENYL ETHER DISULFONATE

SMILES

[Na+].[Na+].CCCCCCCCCCCCCCCCC1=C(C=CC(OC2=CC=C(C=C2)S([O-])(=O)=O)=C1)S([O-])(=O)=O

InChI

InChIKey=GVSKOWNQKIKUKP-UHFFFAOYSA-L
InChI=1S/C28H42O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-23-26(19-22-28(24)37(32,33)34)35-25-17-20-27(21-18-25)36(29,30)31;;/h17-23H,2-16H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
DISODIUM MONOCETYL PHENYL ETHER DISULFONATE
Preferred Name English
Code System Code Type Description
PUBCHEM
92043667
Created by admin on Mon Mar 31 22:43:49 GMT 2025 , Edited by admin on Mon Mar 31 22:43:49 GMT 2025
PRIMARY
FDA UNII
0118Z4NSVN
Created by admin on Mon Mar 31 22:43:49 GMT 2025 , Edited by admin on Mon Mar 31 22:43:49 GMT 2025
PRIMARY