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Details

Stereochemistry ACHIRAL
Molecular Formula C23H16O2
Molecular Weight 324.3719
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-ACETOXYMETHYLBENZO(A)PYRENE

SMILES

CC(=O)OCC1=C2C=CC3=CC=CC4=CC=C(C5=CC=CC=C15)C2=C34

InChI

InChIKey=AIXMKWLMVGVTGG-UHFFFAOYSA-N
InChI=1S/C23H16O2/c1-14(24)25-13-21-18-8-3-2-7-17(18)19-11-9-15-5-4-6-16-10-12-20(21)23(19)22(15)16/h2-12H,13H2,1H3

HIDE SMILES / InChI

Molecular Formula C23H16O2
Molecular Weight 324.3719
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 22:22:28 GMT 2025
Edited
by admin
on Mon Mar 31 22:22:28 GMT 2025
Record UNII
FP2ZUH6F23
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-ACETOXYMETHYLBENZO(A)PYRENE
Systematic Name English
6-(ACETOXYMETHYL)BENZO(A)PYRENE
Preferred Name English
BENZO(A)PYRENE, 6-ACETOXYMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
FP2ZUH6F23
Created by admin on Mon Mar 31 22:22:28 GMT 2025 , Edited by admin on Mon Mar 31 22:22:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID40195601
Created by admin on Mon Mar 31 22:22:28 GMT 2025 , Edited by admin on Mon Mar 31 22:22:28 GMT 2025
PRIMARY
CAS
42978-43-8
Created by admin on Mon Mar 31 22:22:28 GMT 2025 , Edited by admin on Mon Mar 31 22:22:28 GMT 2025
PRIMARY
PUBCHEM
39363
Created by admin on Mon Mar 31 22:22:28 GMT 2025 , Edited by admin on Mon Mar 31 22:22:28 GMT 2025
PRIMARY