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Details

Stereochemistry ACHIRAL
Molecular Formula C22H30O7S2
Molecular Weight 470.599
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DECYL(SULFOPHENOXY)BENZENESULFONIC ACID

SMILES

CCCCCCCCCCC1=C(C=CC(OC2=CC=C(C=C2)S(O)(=O)=O)=C1)S(O)(=O)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C22H30O7S2
Molecular Weight 470.599
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 Sat Dec 16 11:53:40 GMT 2023
Edited
by admin
on Sat Dec 16 11:53:40 GMT 2023
Record UNII
5PSI66PU0Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DECYL(SULFOPHENOXY)BENZENESULFONIC ACID
Systematic Name English
BENZENESULFONIC ACID, DECYL(SULFOPHENOXY)-
Common Name English
MONODECYL PHENYL ETHER DISULFONIC ACID
Common Name English
Code System Code Type Description
FDA UNII
5PSI66PU0Z
Created by admin on Sat Dec 16 11:53:40 GMT 2023 , Edited by admin on Sat Dec 16 11:53:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID3028978
Created by admin on Sat Dec 16 11:53:40 GMT 2023 , Edited by admin on Sat Dec 16 11:53:40 GMT 2023
PRIMARY
CAS
70191-75-2
Created by admin on Sat Dec 16 11:53:40 GMT 2023 , Edited by admin on Sat Dec 16 11:53:40 GMT 2023
PRIMARY
PUBCHEM
89568918
Created by admin on Sat Dec 16 11:53:40 GMT 2023 , Edited by admin on Sat Dec 16 11:53:40 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT