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Details

Stereochemistry ACHIRAL
Molecular Formula C13H8O5
Molecular Weight 244.1996
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-ACETOXYPSORALEN

SMILES

CC(=O)OC1=C2OC(=O)C=CC2=CC3=C1OC=C3

InChI

InChIKey=LPTRRECWRHWOEU-UHFFFAOYSA-N
InChI=1S/C13H8O5/c1-7(14)17-13-11-9(4-5-16-11)6-8-2-3-10(15)18-12(8)13/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C13H8O5
Molecular Weight 244.1996
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 Tue Apr 01 19:33:26 GMT 2025
Edited
by admin
on Tue Apr 01 19:33:26 GMT 2025
Record UNII
LRU60UW29D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-ACETOXYPSORALEN
Systematic Name English
NSC-331793
Preferred Name English
XANTHOTOXOL ACETATE
Common Name English
5-BENZOFURANACRYLIC ACID, 6,7-DIHYDROXY-, .DELTA.-LACTONE, ACETATE
Systematic Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 9-(ACETYLOXY)-
Systematic Name English
9-(ACETYLOXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
Systematic Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 9-HYDROXY-, ACETATE
Systematic Name English
Code System Code Type Description
NSC
331793
Created by admin on Tue Apr 01 19:33:26 GMT 2025 , Edited by admin on Tue Apr 01 19:33:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID40146113
Created by admin on Tue Apr 01 19:33:26 GMT 2025 , Edited by admin on Tue Apr 01 19:33:26 GMT 2025
PRIMARY
PUBCHEM
100617
Created by admin on Tue Apr 01 19:33:26 GMT 2025 , Edited by admin on Tue Apr 01 19:33:26 GMT 2025
PRIMARY
FDA UNII
LRU60UW29D
Created by admin on Tue Apr 01 19:33:26 GMT 2025 , Edited by admin on Tue Apr 01 19:33:26 GMT 2025
PRIMARY
CAS
10386-19-3
Created by admin on Tue Apr 01 19:33:26 GMT 2025 , Edited by admin on Tue Apr 01 19:33:26 GMT 2025
PRIMARY