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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H8N2O3
Molecular Weight 276.2463
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITRO-6-NITROSOPYRENE

SMILES

[O-][N+](=O)C1=CC=C2C=CC3=C4C(C=CC1=C24)=CC=C3N=O

InChI

InChIKey=WWKLDZDOXNNLAM-UHFFFAOYSA-N
InChI=1S/C16H8N2O3/c19-17-13-7-3-9-2-6-12-14(18(20)21)8-4-10-1-5-11(13)15(9)16(10)12/h1-8H

HIDE SMILES / InChI

Approval Year

Name Type Language
1-NITRO-6-NITROSOPYRENE
Systematic Name English
1-NITROSO-6-NITROPYRENE
Preferred Name English
PYRENE, 1-NITRO-6-NITROSO-
Systematic Name English
NITRO-6-NITROSOPYRENE, 1-
Systematic Name English
Code System Code Type Description
CAS
101043-65-6
Created by admin on Mon Mar 31 18:55:42 GMT 2025 , Edited by admin on Mon Mar 31 18:55:42 GMT 2025
PRIMARY
PUBCHEM
114987
Created by admin on Mon Mar 31 18:55:42 GMT 2025 , Edited by admin on Mon Mar 31 18:55:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID60143700
Created by admin on Mon Mar 31 18:55:42 GMT 2025 , Edited by admin on Mon Mar 31 18:55:42 GMT 2025
PRIMARY
FDA UNII
R5SG06P1AA
Created by admin on Mon Mar 31 18:55:42 GMT 2025 , Edited by admin on Mon Mar 31 18:55:42 GMT 2025
PRIMARY