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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13NO2
Molecular Weight 251.2799
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-NITRO-4,5,9,10-TETRAHYDROPYRENE

SMILES

[O-][N+](=O)C1=CC2=C3C(CCC4=C3C(CC2)=CC=C4)=C1

InChI

InChIKey=CMQCIMXGPDHCOA-UHFFFAOYSA-N
InChI=1S/C16H13NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-3,8-9H,4-7H2

HIDE SMILES / InChI

Molecular Formula C16H13NO2
Molecular Weight 251.2799
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 22:59:54 GMT 2025
Edited
by admin
on Mon Mar 31 22:59:54 GMT 2025
Record UNII
ZD2D822ONE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NITRO-4,5,9,10-TETRAHYDROPYRENE
Systematic Name English
4,5,9,10-TETRAHYDRO-2-NITROPYRENE
Preferred Name English
PYRENE, 4,5,9,10-TETRAHYDRO-2-NITRO-
Systematic Name English
Code System Code Type Description
CAS
10549-22-1
Created by admin on Mon Mar 31 22:59:54 GMT 2025 , Edited by admin on Mon Mar 31 22:59:54 GMT 2025
PRIMARY
FDA UNII
ZD2D822ONE
Created by admin on Mon Mar 31 22:59:54 GMT 2025 , Edited by admin on Mon Mar 31 22:59:54 GMT 2025
PRIMARY
PUBCHEM
154921
Created by admin on Mon Mar 31 22:59:54 GMT 2025 , Edited by admin on Mon Mar 31 22:59:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID30147154
Created by admin on Mon Mar 31 22:59:54 GMT 2025 , Edited by admin on Mon Mar 31 22:59:54 GMT 2025
PRIMARY