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Details

Stereochemistry ACHIRAL
Molecular Formula C16H9NO
Molecular Weight 231.2488
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITROSOPYRENE

SMILES

O=NC1=CC=C2C=CC3=CC=CC4=C3C2=C1C=C4

InChI

InChIKey=KRCPDXFCTQIOPS-UHFFFAOYSA-N
InChI=1S/C16H9NO/c18-17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

HIDE SMILES / InChI

Molecular Formula C16H9NO
Molecular Weight 231.2488
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 19:22:43 GMT 2025
Edited
by admin
on Mon Mar 31 19:22:43 GMT 2025
Record UNII
5XC7ZE327A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-NITROSOPYRENE
Systematic Name English
NITROSOPYRENE, 1-
Preferred Name English
PYRENE, 1-NITROSO-
Systematic Name English
Code System Code Type Description
FDA UNII
5XC7ZE327A
Created by admin on Mon Mar 31 19:22:43 GMT 2025 , Edited by admin on Mon Mar 31 19:22:43 GMT 2025
PRIMARY
CAS
86674-51-3
Created by admin on Mon Mar 31 19:22:43 GMT 2025 , Edited by admin on Mon Mar 31 19:22:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID101007006
Created by admin on Mon Mar 31 19:22:43 GMT 2025 , Edited by admin on Mon Mar 31 19:22:43 GMT 2025
PRIMARY
PUBCHEM
104777
Created by admin on Mon Mar 31 19:22:43 GMT 2025 , Edited by admin on Mon Mar 31 19:22:43 GMT 2025
PRIMARY