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Details

Stereochemistry ACHIRAL
Molecular Formula C20H19NO2
Molecular Weight 305.3704
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-NITRO-4,5,7,8,9,10,11,12-OCTAHYDROBENZOPYRENE

SMILES

[O-][N+](=O)C1=CC2=C3C(CCC4=C5CCCCC5=CC(CC2)=C34)=C1

InChI

InChIKey=YKDMOHKMDIVHQS-UHFFFAOYSA-N
InChI=1S/C20H19NO2/c22-21(23)16-10-14-6-5-13-9-12-3-1-2-4-17(12)18-8-7-15(11-16)19(14)20(13)18/h9-11H,1-8H2

HIDE SMILES / InChI

Molecular Formula C20H19NO2
Molecular Weight 305.3704
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 19:19:54 GMT 2025
Edited
by admin
on Mon Mar 31 19:19:54 GMT 2025
Record UNII
HOG9I5077V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NITRO-4,5,7,8,9,10,11,12-OCTAHYDROBENZO(A)PYRENE
Preferred Name English
2-NITRO-4,5,7,8,9,10,11,12-OCTAHYDROBENZOPYRENE
Systematic Name English
NITRO-4,5,7,8,9,10,11,12-OCTAHYDROBENZO(A)PYRENE, 2-
Systematic Name English
BENZO(A)PYRENE, 4,5,7,8,9,10,11,12-OCTAHYDRO-2-NITRO-
Systematic Name English
Code System Code Type Description
PUBCHEM
154530
Created by admin on Mon Mar 31 19:19:54 GMT 2025 , Edited by admin on Mon Mar 31 19:19:54 GMT 2025
PRIMARY
FDA UNII
HOG9I5077V
Created by admin on Mon Mar 31 19:19:54 GMT 2025 , Edited by admin on Mon Mar 31 19:19:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID20161748
Created by admin on Mon Mar 31 19:19:54 GMT 2025 , Edited by admin on Mon Mar 31 19:19:54 GMT 2025
PRIMARY
CAS
141511-28-6
Created by admin on Mon Mar 31 19:19:54 GMT 2025 , Edited by admin on Mon Mar 31 19:19:54 GMT 2025
PRIMARY