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

Details

Stereochemistry ACHIRAL
Molecular Formula C32H22N2O8
Molecular Weight 562.5257
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-(1,3,6,8-TETRAHYDRO-1,3,6,8-TETRAOXOBENZO(LMN)(3,8)PHENANTHROLINE-2,7-DIYL)BISBENZOIC ACID, DIETHYL ESTER

SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=C4C(=O)N(C(=O)C5=C4C3=C(C=C5)C2=O)C6=CC=C(C=C6)C(=O)OCC

InChI

InChIKey=VJGZSQFTKVTZJM-UHFFFAOYSA-N
InChI=1S/C32H22N2O8/c1-3-41-31(39)17-5-9-19(10-6-17)33-27(35)21-13-15-23-26-24(16-14-22(25(21)26)28(33)36)30(38)34(29(23)37)20-11-7-18(8-12-20)32(40)42-4-2/h5-16H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C32H22N2O8
Molecular Weight 562.5257
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 Mon Mar 31 22:38:56 GMT 2025
Edited
by admin
on Mon Mar 31 22:38:56 GMT 2025
Record UNII
EFV8379BUK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4'-(1,3,6,8-TETRAHYDRO-1,3,6,8-TETRAOXOBENZO(LMN)(3,8)PHENANTHROLINE-2,7-DIYL)BISBENZOIC ACID, DIETHYL ESTER
Common Name English
BENZOIC ACID, 4,4'-(1,3,6,8-TETRAHYDRO-1,3,6,8-TETRAOXOBENZO(LMN)(3,8)PHENANTHROLINE-2,7-DIYL)BIS-, DIETHYL ESTER
Preferred Name English
DIETHYL N,N'-BIS(CARBOXYPHENYL)-1,4,5,8-NAPHTHALENETETRACARBOXYDIIMIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID001022029
Created by admin on Mon Mar 31 22:38:56 GMT 2025 , Edited by admin on Mon Mar 31 22:38:56 GMT 2025
PRIMARY
CAS
132459-54-2
Created by admin on Mon Mar 31 22:38:56 GMT 2025 , Edited by admin on Mon Mar 31 22:38:56 GMT 2025
PRIMARY
FDA UNII
EFV8379BUK
Created by admin on Mon Mar 31 22:38:56 GMT 2025 , Edited by admin on Mon Mar 31 22:38:56 GMT 2025
PRIMARY
PUBCHEM
72941678
Created by admin on Mon Mar 31 22:38:56 GMT 2025 , Edited by admin on Mon Mar 31 22:38:56 GMT 2025
PRIMARY