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Details

Stereochemistry RACEMIC
Molecular Formula C20H17FO4S
Molecular Weight 372.4118
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-((3E)-6-FLUORO-2-(HYDROXYMETHYL)-3-((4-METHYLSULFINYLPHENYL)METHYLENE)INDEN-1-YL)ACETIC ACID

SMILES

CS(=O)c1ccc(cc1)/C(/[H])=C/2\c3ccc(cc3C(=C2CO)CC(=O)O)F

InChI

InChIKey=YNFJNUKAJTWEPC-LZYBPNLTSA-N
InChI=1S/C20H17FO4S/c1-26(25)14-5-2-12(3-6-14)8-16-15-7-4-13(21)9-17(15)18(10-20(23)24)19(16)11-22/h2-9,22H,10-11H2,1H3,(H,23,24)/b16-8+

HIDE SMILES / InChI

Molecular Formula C20H17FO4S
Molecular Weight 372.4118
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:22:54 UTC 2021
Edited
by admin
on Fri Jun 25 23:22:54 UTC 2021
Record UNII
2JQ8X61QDQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((3E)-6-FLUORO-2-(HYDROXYMETHYL)-3-((4-METHYLSULFINYLPHENYL)METHYLENE)INDEN-1-YL)ACETIC ACID
Systematic Name English
1H-INDENE-3-ACETIC ACID, 5-FLUORO-2-(HYDROXYMETHYL)-1-((4-(METHYLSULFINYL)PHENYL)METHYLENE)-
Systematic Name English
SULINDAC HYDROXY METABOLITE
Common Name English
Code System Code Type Description
CAS
53412-22-9
Created by admin on Fri Jun 25 23:22:54 UTC 2021 , Edited by admin on Fri Jun 25 23:22:54 UTC 2021
PRIMARY
PUBCHEM
137321759
Created by admin on Fri Jun 25 23:22:54 UTC 2021 , Edited by admin on Fri Jun 25 23:22:54 UTC 2021
PRIMARY
FDA UNII
2JQ8X61QDQ
Created by admin on Fri Jun 25 23:22:54 UTC 2021 , Edited by admin on Fri Jun 25 23:22:54 UTC 2021
PRIMARY
Related Record Type Details
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