U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H29IO2
Molecular Weight 416.3368
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENEDECANOIC ACID, 3-IODO-.IOTA.-METHYL-, ETHYL ESTER

SMILES

CCOC(=O)CCCCCCCCC(C)C1=CC=CC(I)=C1

InChI

InChIKey=QEDKWPVYINBWKH-UHFFFAOYSA-N
InChI=1S/C19H29IO2/c1-3-22-19(21)14-9-7-5-4-6-8-11-16(2)17-12-10-13-18(20)15-17/h10,12-13,15-16H,3-9,11,14H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZENEDECANOIC ACID, 3-IODO-.IOTA.-METHYL-, ETHYL ESTER
Common Name English
ETHYL 10-(3-IODOPHENYL)UNDECANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
92C29S2462
Created by admin on Fri Dec 15 16:20:04 GMT 2023 , Edited by admin on Fri Dec 15 16:20:04 GMT 2023
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PUBCHEM
5284576
Created by admin on Fri Dec 15 16:20:04 GMT 2023 , Edited by admin on Fri Dec 15 16:20:04 GMT 2023
PRIMARY
NCI_THESAURUS
C87443
Created by admin on Fri Dec 15 16:20:04 GMT 2023 , Edited by admin on Fri Dec 15 16:20:04 GMT 2023
PRIMARY