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Details

Stereochemistry ACHIRAL
Molecular Formula C14H17IN2O6
Molecular Weight 436.1991
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-[2-(4-Hydroxy-3-iodo-5-nitrophenyl)acetamido]hexanoic acid

SMILES

OC(=O)CCCCCNC(=O)CC1=CC(I)=C(O)C(=C1)[N+]([O-])=O

InChI

InChIKey=LKGGMBQFWIIXJM-UHFFFAOYSA-N
InChI=1S/C14H17IN2O6/c15-10-6-9(7-11(14(10)21)17(22)23)8-12(18)16-5-3-1-2-4-13(19)20/h6-7,21H,1-5,8H2,(H,16,18)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C14H17IN2O6
Molecular Weight 436.1991
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 15:31:27 GMT 2023
Edited
by admin
on Sat Dec 16 15:31:27 GMT 2023
Record UNII
X9JCB3JKM4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-[2-(4-Hydroxy-3-iodo-5-nitrophenyl)acetamido]hexanoic acid
Systematic Name English
6-[[2-(4-Hydroxy-3-iodo-5-nitrophenyl)acetyl]amino]hexanoic acid
Systematic Name English
Hexanoic acid, 6-[[2-(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]amino]-
Systematic Name English
6-(2-(3-Iodanyl-5-nitro-4-oxidanyl-phenyl)ethanoylamino)hexanoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
46937139
Created by admin on Sat Dec 16 15:31:27 GMT 2023 , Edited by admin on Sat Dec 16 15:31:27 GMT 2023
PRIMARY
FDA UNII
X9JCB3JKM4
Created by admin on Sat Dec 16 15:31:27 GMT 2023 , Edited by admin on Sat Dec 16 15:31:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID70677389
Created by admin on Sat Dec 16 15:31:27 GMT 2023 , Edited by admin on Sat Dec 16 15:31:27 GMT 2023
PRIMARY
CAS
10463-29-3
Created by admin on Sat Dec 16 15:31:27 GMT 2023 , Edited by admin on Sat Dec 16 15:31:27 GMT 2023
PRIMARY