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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 5-DECYL-2-(2-SULFOPHENOXY)BENZENESULFONIC ACID

SMILES

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

InChI

InChIKey=UFVOZEBJEMMWTK-UHFFFAOYSA-N
InChI=1S/C22H30O7S2/c1-2-3-4-5-6-7-8-9-12-18-15-16-20(22(17-18)31(26,27)28)29-19-13-10-11-14-21(19)30(23,24)25/h10-11,13-17H,2-9,12H2,1H3,(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 12:19:10 GMT 2023
Edited
by admin
on Sat Dec 16 12:19:10 GMT 2023
Record UNII
YLW2KNR9SG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-DECYL-2-(2-SULFOPHENOXY)BENZENESULFONIC ACID
Systematic Name English
BENZENESULFONIC ACID, 5-DECYL-2-(2-SULFOPHENOXY)-
Systematic Name English
5-DODECYL-2-(2-SULFOPHENOXY)BENZENESULFONIC ACID
Systematic Name English
Code System Code Type Description
CAS
1889275-14-2
Created by admin on Sat Dec 16 12:19:10 GMT 2023 , Edited by admin on Sat Dec 16 12:19:10 GMT 2023
PRIMARY
PUBCHEM
73556607
Created by admin on Sat Dec 16 12:19:10 GMT 2023 , Edited by admin on Sat Dec 16 12:19:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID30880079
Created by admin on Sat Dec 16 12:19:10 GMT 2023 , Edited by admin on Sat Dec 16 12:19:10 GMT 2023
PRIMARY
FDA UNII
YLW2KNR9SG
Created by admin on Sat Dec 16 12:19:10 GMT 2023 , Edited by admin on Sat Dec 16 12:19:10 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT