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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H24Cl6O8
Molecular Weight 677.182
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIS(6-CARBOPENTOXY-2,4,5-TRICHLOROPHENYL)OXALATE

SMILES

CCCCCOC(=O)C1=C(OC(=O)C(=O)OC2=C(C(=O)OCCCCC)C(Cl)=C(Cl)C=C2Cl)C(Cl)=CC(Cl)=C1Cl

InChI

InChIKey=TZZLVFUOAYMTHA-UHFFFAOYSA-N
InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C26H24Cl6O8
Molecular Weight 677.182
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:18:42 GMT 2025
Edited
by admin
on Mon Mar 31 19:18:42 GMT 2025
Record UNII
44594F9XR2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS(6-CARBOPENTOXY-2,4,5-TRICHLOROPHENYL)OXALATE
Systematic Name English
BIS(2,4,5-TRICHLORO-6-CARBOPENTOXYPHENYL) OXALATE
Preferred Name English
BIS(6-CARBOPENTOXY-2,4,5-TRICHLOROPHENYL) OXALATE
Systematic Name English
BIS(2,4,5-TRICHLORO-6-CARBOPENTYLOXYPHENYL)OXALATE
Systematic Name English
ETHANEDIOIC ACID, 1,2-BIS(3,4,6-TRICHLORO-2-((PENTYLOXY)CARBONYL)PHENYL) ESTER
Systematic Name English
CPPO
Common Name English
ETHANEDIOIC ACID, BIS(3,4,6-TRICHLORO-2-((PENTYLOXY)CARBONYL)PHENYL) ESTER
Systematic Name English
BIS(3,4,6-TRICHLORO-2-(PENTYLOXYCARBONYL)PHENYL)OXALATE
Systematic Name English
pentyl 2,3,5-trichloro-6-[(2-oxo-2-{3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenoxy}acetyl)oxy]benzoate
Systematic Name English
BIS(2-CARBOPENTYLOXY-3,4,6-TRICHLOROPHENYL) OXALATE
Systematic Name English
OXALIC ACID, DIESTER WITH PENTYL 3,5,6-TRICHLOROSALICYLATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
250-195-3
Created by admin on Mon Mar 31 19:18:42 GMT 2025 , Edited by admin on Mon Mar 31 19:18:42 GMT 2025
PRIMARY
FDA UNII
44594F9XR2
Created by admin on Mon Mar 31 19:18:42 GMT 2025 , Edited by admin on Mon Mar 31 19:18:42 GMT 2025
PRIMARY
PUBCHEM
93137
Created by admin on Mon Mar 31 19:18:42 GMT 2025 , Edited by admin on Mon Mar 31 19:18:42 GMT 2025
PRIMARY
WIKIPEDIA
Bis(2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl)oxalate
Created by admin on Mon Mar 31 19:18:42 GMT 2025 , Edited by admin on Mon Mar 31 19:18:42 GMT 2025
PRIMARY
CAS
30431-54-0
Created by admin on Mon Mar 31 19:18:42 GMT 2025 , Edited by admin on Mon Mar 31 19:18:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID0067559
Created by admin on Mon Mar 31 19:18:42 GMT 2025 , Edited by admin on Mon Mar 31 19:18:42 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966