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

Details

Stereochemistry RACEMIC
Molecular Formula C19H11Cl
Molecular Weight 274.744
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-4H-CYCLOPENTA(DEF)CHRYSENE

SMILES

ClC1C=CC2=CC3=CC4=C5C3=C(C=CC5=CC=C4)C2=C1

InChI

InChIKey=WKRCUZQBUGMXOT-UHFFFAOYSA-N
InChI=1S/C19H11Cl/c20-15-6-4-12-8-14-9-13-3-1-2-11-5-7-16(17(12)10-15)19(14)18(11)13/h1-10,15H

HIDE SMILES / InChI

Molecular Formula C19H11Cl
Molecular Weight 274.744
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:44:34 GMT 2025
Edited
by admin
on Mon Mar 31 21:44:34 GMT 2025
Record UNII
43Y06391VJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLORO-4H-CYCLOPENTA(DEF)CHRYSENE
Preferred Name English
Code System Code Type Description
FDA UNII
43Y06391VJ
Created by admin on Mon Mar 31 21:44:34 GMT 2025 , Edited by admin on Mon Mar 31 21:44:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID20933806
Created by admin on Mon Mar 31 21:44:34 GMT 2025 , Edited by admin on Mon Mar 31 21:44:34 GMT 2025
PRIMARY
CAS
149922-82-7
Created by admin on Mon Mar 31 21:44:34 GMT 2025 , Edited by admin on Mon Mar 31 21:44:34 GMT 2025
PRIMARY
PUBCHEM
154640
Created by admin on Mon Mar 31 21:44:34 GMT 2025 , Edited by admin on Mon Mar 31 21:44:34 GMT 2025
PRIMARY