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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H10O4
Molecular Weight 242.2268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SESAMOL BENZOATE

SMILES

O=C(OC1=CC=C2OCOC2=C1)C3=CC=CC=C3

InChI

InChIKey=QMGRLEAYWWVZRW-UHFFFAOYSA-N
InChI=1S/C14H10O4/c15-14(10-4-2-1-3-5-10)18-11-6-7-12-13(8-11)17-9-16-12/h1-8H,9H2

HIDE SMILES / InChI

Molecular Formula C14H10O4
Molecular Weight 242.2268
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 15:14:43 GMT 2023
Edited
by admin
on Fri Dec 15 15:14:43 GMT 2023
Record UNII
40QCA5X22M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SESAMOL BENZOATE
Common Name English
1,3-BENZODIOXOL-5-OL, 5-BENZOATE
Systematic Name English
NSC-32510
Code English
3,4-(METHYLENEDIOXY)PHENYL BENZOATE
Systematic Name English
1,3-BENZODIOXOL-5-OL, BENZOATE
Systematic Name English
PHENOL, 3,4-(METHYLENEDIOXY)-, BENZOATE
Systematic Name English
3,4-METHYLENEDIOXYPHENYL BENZOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
233637
Created by admin on Fri Dec 15 15:14:43 GMT 2023 , Edited by admin on Fri Dec 15 15:14:43 GMT 2023
PRIMARY
NSC
32510
Created by admin on Fri Dec 15 15:14:43 GMT 2023 , Edited by admin on Fri Dec 15 15:14:43 GMT 2023
PRIMARY
CAS
16386-46-2
Created by admin on Fri Dec 15 15:14:43 GMT 2023 , Edited by admin on Fri Dec 15 15:14:43 GMT 2023
PRIMARY
FDA UNII
40QCA5X22M
Created by admin on Fri Dec 15 15:14:43 GMT 2023 , Edited by admin on Fri Dec 15 15:14:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID20283616
Created by admin on Fri Dec 15 15:14:43 GMT 2023 , Edited by admin on Fri Dec 15 15:14:43 GMT 2023
PRIMARY