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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13O4.H4N
Molecular Weight 239.2677
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-Benzenedicarboxylic acid, 1-butyl ester, ammonium salt

SMILES

[NH4+].CCCCOC(=O)C1=CC=CC=C1C([O-])=O

InChI

InChIKey=CTZJMAUBTHDVBI-UHFFFAOYSA-N
InChI=1S/C12H14O4.H3N/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14;/h4-7H,2-3,8H2,1H3,(H,13,14);1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1,2-Benzenedicarboxylic acid, 1-butyl ester, ammonium salt
Common Name English
1,2-Benzenedicarboxylic acid, 1-butyl ester, ammonium salt (1:1)
Systematic Name English
Ammonium 2-(butoxycarbonyl)benzoate
Common Name English
Phthalic acid, monobutyl ester, ammonium salt
Common Name English
Code System Code Type Description
FDA UNII
E222BXG5P2
Created by admin on Sat Dec 16 08:23:09 GMT 2023 , Edited by admin on Sat Dec 16 08:23:09 GMT 2023
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CAS
75239-51-9
Created by admin on Sat Dec 16 08:23:09 GMT 2023 , Edited by admin on Sat Dec 16 08:23:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID00996712
Created by admin on Sat Dec 16 08:23:09 GMT 2023 , Edited by admin on Sat Dec 16 08:23:09 GMT 2023
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PUBCHEM
135319
Created by admin on Sat Dec 16 08:23:09 GMT 2023 , Edited by admin on Sat Dec 16 08:23:09 GMT 2023
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