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Details

Stereochemistry ACHIRAL
Molecular Formula C28H14Cl4N2O2
Molecular Weight 552.235
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,8-Dichloro-5,10-bis(3-chloroanilino)pyrene-1,6-dione

SMILES

ClC1=CC(NC2=CC3=C4C(C(=O)C=C3Cl)=C(NC5=CC=CC(Cl)=C5)C=C6C(Cl)=CC(=O)C2=C46)=CC=C1

InChI

InChIKey=WTZQBZUVIDGHKE-UHFFFAOYSA-N
InChI=1S/C28H14Cl4N2O2/c29-13-3-1-5-15(7-13)33-21-9-17-19(31)12-24(36)28-22(34-16-6-2-4-14(30)8-16)10-18-20(32)11-23(35)27(21)25(18)26(17)28/h1-12,33-34H

HIDE SMILES / InChI

Molecular Formula C28H14Cl4N2O2
Molecular Weight 552.235
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 Sat Dec 16 11:56:46 GMT 2023
Edited
by admin
on Sat Dec 16 11:56:46 GMT 2023
Record UNII
C7RRU5H2FY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,8-Dichloro-5,10-bis(3-chloroanilino)pyrene-1,6-dione
Systematic Name English
1,6-Pyrenedione, 3,8-dichloro-5,10-bis[(3-chlorophenyl)amino]-
Systematic Name English
3,8-Dichloro-5,10-bis[(3-chlorophenyl)amino]-1,6-pyrenedione
Systematic Name English
Code System Code Type Description
FDA UNII
C7RRU5H2FY
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
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EPA CompTox
DTXSID70242950
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
PRIMARY
PUBCHEM
3024883
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
306-780-1
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
PRIMARY
CAS
97404-17-6
Created by admin on Sat Dec 16 11:56:46 GMT 2023 , Edited by admin on Sat Dec 16 11:56:46 GMT 2023
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