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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O4
Molecular Weight 222.2372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYL ISOPHTHALATE

SMILES

CCOC(=O)C1=CC(=CC=C1)C(=O)OCC

InChI

InChIKey=JLVWYWVLMFVCDI-UHFFFAOYSA-N
InChI=1S/C12H14O4/c1-3-15-11(13)9-6-5-7-10(8-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H14O4
Molecular Weight 222.2372
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 Fri Dec 15 19:50:08 GMT 2023
Edited
by admin
on Fri Dec 15 19:50:08 GMT 2023
Record UNII
E1QJK560FY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIETHYL ISOPHTHALATE
HSDB  
Systematic Name English
NSC-249815
Code English
DIETHYL ISOPHTHALATE [HSDB]
Common Name English
Code System Code Type Description
FDA UNII
E1QJK560FY
Created by admin on Fri Dec 15 19:50:08 GMT 2023 , Edited by admin on Fri Dec 15 19:50:08 GMT 2023
PRIMARY
HSDB
5732
Created by admin on Fri Dec 15 19:50:08 GMT 2023 , Edited by admin on Fri Dec 15 19:50:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-260-1
Created by admin on Fri Dec 15 19:50:08 GMT 2023 , Edited by admin on Fri Dec 15 19:50:08 GMT 2023
PRIMARY
CAS
636-53-3
Created by admin on Fri Dec 15 19:50:08 GMT 2023 , Edited by admin on Fri Dec 15 19:50:08 GMT 2023
PRIMARY
NSC
249815
Created by admin on Fri Dec 15 19:50:08 GMT 2023 , Edited by admin on Fri Dec 15 19:50:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID5027277
Created by admin on Fri Dec 15 19:50:08 GMT 2023 , Edited by admin on Fri Dec 15 19:50:08 GMT 2023
PRIMARY
PUBCHEM
12491
Created by admin on Fri Dec 15 19:50:08 GMT 2023 , Edited by admin on Fri Dec 15 19:50:08 GMT 2023
PRIMARY