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Details

Stereochemistry ACHIRAL
Molecular Formula C16H7N3O6
Molecular Weight 337.2433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,6-TRINITROPYRENE

SMILES

[O-][N+](=O)C1=CC(=C2C=CC3=C(C=CC4=C3C2=C1C=C4)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=BXOXVTWMJCUYLW-UHFFFAOYSA-N
InChI=1S/C16H7N3O6/c20-17(21)12-6-2-8-1-3-10-13(18(22)23)7-14(19(24)25)11-5-4-9(12)15(8)16(10)11/h1-7H

HIDE SMILES / InChI

Molecular Formula C16H7N3O6
Molecular Weight 337.2433
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 Fri Dec 15 17:44:57 GMT 2023
Edited
by admin
on Fri Dec 15 17:44:57 GMT 2023
Record UNII
49M5YJ3MLV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,6-TRINITROPYRENE
Systematic Name English
TRINITROPYRENE, 1,3,6-
Systematic Name English
Code System Code Type Description
CAS
75321-19-6
Created by admin on Fri Dec 15 17:44:57 GMT 2023 , Edited by admin on Fri Dec 15 17:44:57 GMT 2023
PRIMARY
PUBCHEM
53229
Created by admin on Fri Dec 15 17:44:57 GMT 2023 , Edited by admin on Fri Dec 15 17:44:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID2075267
Created by admin on Fri Dec 15 17:44:57 GMT 2023 , Edited by admin on Fri Dec 15 17:44:57 GMT 2023
PRIMARY
FDA UNII
49M5YJ3MLV
Created by admin on Fri Dec 15 17:44:57 GMT 2023 , Edited by admin on Fri Dec 15 17:44:57 GMT 2023
PRIMARY