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Details

Stereochemistry RACEMIC
Molecular Formula C18H29O3S.Na
Molecular Weight 348.476
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM (1-METHYLUNDECYL)BENZENESULFONATE

SMILES

[Na+].CCCCCCCCCCC(C)C1=CC=C(C=C1)S([O-])(=O)=O

InChI

InChIKey=GHRHULTYHYEOQB-UHFFFAOYSA-M
InChI=1S/C18H30O3S.Na/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C18H29O3S
Molecular Weight 325.486
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:07:24 GMT 2023
Edited
by admin
on Sat Dec 16 08:07:24 GMT 2023
Record UNII
T2TZZ07610
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM (1-METHYLUNDECYL)BENZENESULFONATE
Systematic Name English
NSC-152936
Code English
SODIUM P-(1-METHYLUNDECYL)BENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, 4-(1-METHYLUNDECYL)-, SODIUM SALT (1:1)
Systematic Name English
SODIUM (2-DODECYL)BENZENESULFONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
23691965
Created by admin on Sat Dec 16 08:07:24 GMT 2023 , Edited by admin on Sat Dec 16 08:07:24 GMT 2023
PRIMARY
FDA UNII
T2TZZ07610
Created by admin on Sat Dec 16 08:07:24 GMT 2023 , Edited by admin on Sat Dec 16 08:07:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID00274022
Created by admin on Sat Dec 16 08:07:24 GMT 2023 , Edited by admin on Sat Dec 16 08:07:24 GMT 2023
PRIMARY
CAS
2211-99-6
Created by admin on Sat Dec 16 08:07:24 GMT 2023 , Edited by admin on Sat Dec 16 08:07:24 GMT 2023
PRIMARY
NSC
152936
Created by admin on Sat Dec 16 08:07:24 GMT 2023 , Edited by admin on Sat Dec 16 08:07:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE