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Details

Stereochemistry ACHIRAL
Molecular Formula C15H16I3NO5
Molecular Weight 671.0047
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IOBUTOIC ACID

SMILES

OC(=O)CCCOC1=C(I)C=C(I)C(C(=O)N2CCOCC2)=C1I

InChI

InChIKey=AWPDPEBRIXSCQG-UHFFFAOYSA-N
InChI=1S/C15H16I3NO5/c16-9-8-10(17)14(24-5-1-2-11(20)21)13(18)12(9)15(22)19-3-6-23-7-4-19/h8H,1-7H2,(H,20,21)

HIDE SMILES / InChI
Patents
Name Type Language
IOBUTOIC ACID
INN  
INN  
Official Name English
iobutoic acid [INN]
Common Name English
4-(2,4,6-TRIIODO-3-(MORPHOLINOCARBONYL)PHENOXY)BUTYRIC ACID
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C28500
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
Code System Code Type Description
EVMPD
SUB08206MIG
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
PRIMARY
INN
2518
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
PRIMARY
CAS
13445-12-0
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
PRIMARY
PUBCHEM
3038464
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID10158703
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
PRIMARY
SMS_ID
100000083422
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106333
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
PRIMARY
FDA UNII
ZJC1Z4E09L
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
PRIMARY
NCI_THESAURUS
C65926
Created by admin on Fri Dec 15 16:25:04 GMT 2023 , Edited by admin on Fri Dec 15 16:25:04 GMT 2023
PRIMARY