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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H14O2
Molecular Weight 310.3454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC(=O)OC1=C2C=CC3=C4C(C=CC(C5=CC=CC=C15)=C24)=CC=C3

InChI

InChIKey=PSUANBYSDSSXCT-UHFFFAOYSA-N
InChI=1S/C22H14O2/c1-13(23)24-22-18-8-3-2-7-16(18)17-11-9-14-5-4-6-15-10-12-19(22)21(17)20(14)15/h2-12H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
6-ACETOXYBENZO(A)PYRENE
Systematic Name English
NSC-31001
Preferred Name English
BENZO(A)PYRENE-6-YL ACETATE
Systematic Name English
BENZO(A)PYREN-6-OL, ACETATE
Systematic Name English
BENZO(A)PYREN-6-OL, 6-ACETATE
Systematic Name English
ACETOXYBENZO(A)PYRENE, 6-
Systematic Name English
Code System Code Type Description
PUBCHEM
40812
Created by admin on Mon Mar 31 18:45:08 GMT 2025 , Edited by admin on Mon Mar 31 18:45:08 GMT 2025
PRIMARY
NSC
31001
Created by admin on Mon Mar 31 18:45:08 GMT 2025 , Edited by admin on Mon Mar 31 18:45:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID80201775
Created by admin on Mon Mar 31 18:45:08 GMT 2025 , Edited by admin on Mon Mar 31 18:45:08 GMT 2025
PRIMARY
CAS
53555-67-2
Created by admin on Mon Mar 31 18:45:08 GMT 2025 , Edited by admin on Mon Mar 31 18:45:08 GMT 2025
PRIMARY
FDA UNII
W21JA737FO
Created by admin on Mon Mar 31 18:45:08 GMT 2025 , Edited by admin on Mon Mar 31 18:45:08 GMT 2025
PRIMARY