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Details

Stereochemistry ACHIRAL
Molecular Formula C15H9I2O3.Na
Molecular Weight 514.0289
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SODIUM .BETA.-(3,5-DIIODO-4-HYDROXYPHENYL)ATROPATE

SMILES

[Na+].OC1=C(I)C=C(C=C(C([O-])=O)C2=CC=CC=C2)C=C1I

InChI

InChIKey=GEEDEOJNDKKSMX-UHFFFAOYSA-M
InChI=1S/C15H10I2O3.Na/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10;/h1-8,18H,(H,19,20);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C15H9I2O3
Molecular Weight 491.0391
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:00:17 GMT 2023
Edited
by admin
on Sat Dec 16 05:00:17 GMT 2023
Record UNII
846HX2Z164
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM .BETA.-(3,5-DIIODO-4-HYDROXYPHENYL)ATROPATE
Common Name English
BENZENEACETIC ACID, .ALPHA.-((4-HYDROXY-3,5-DIIODOPHENYL)METHYLENE)-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
846HX2Z164
Created by admin on Sat Dec 16 05:00:17 GMT 2023 , Edited by admin on Sat Dec 16 05:00:17 GMT 2023
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EPA CompTox
DTXSID40938010
Created by admin on Sat Dec 16 05:00:17 GMT 2023 , Edited by admin on Sat Dec 16 05:00:17 GMT 2023
PRIMARY
CAS
17162-17-3
Created by admin on Sat Dec 16 05:00:17 GMT 2023 , Edited by admin on Sat Dec 16 05:00:17 GMT 2023
PRIMARY
PUBCHEM
23662342
Created by admin on Sat Dec 16 05:00:17 GMT 2023 , Edited by admin on Sat Dec 16 05:00:17 GMT 2023
PRIMARY