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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H16O12
Molecular Weight 496.3766
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PHLOROECKOL

SMILES

OC1=CC(OC2=C3OC4=C(OC3=C(O)C=C2OC5=C(O)C=C(O)C=C5O)C=C(O)C=C4O)=CC(O)=C1

InChI

InChIKey=WYQMJNVMBAQVFD-UHFFFAOYSA-N
InChI=1S/C24H16O12/c25-9-1-10(26)3-13(2-9)33-23-19(34-20-14(29)4-11(27)5-15(20)30)8-17(32)22-24(23)36-21-16(31)6-12(28)7-18(21)35-22/h1-8,25-32H

HIDE SMILES / InChI

Molecular Formula C24H16O12
Molecular Weight 496.3766
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 Sat Dec 16 14:25:24 UTC 2023
Edited
by admin
on Sat Dec 16 14:25:24 UTC 2023
Record UNII
4NA7GV0COJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PHLOROECKOL
Common Name English
9-(3,5-DIHYDROXYPHENOXY)-8-(2,4,6-TRIHYDROXYPHENOXY)DIBENZO(B,E)(1,4)DIOXIN-1,3,6-TRIOL
Systematic Name English
DIBENZO(B,E)(1,4)DIOXIN-1,3,6-TRIOL, 9-(3,5-DIHYDROXYPHENOXY)-8-(2,4,6-TRIHYDROXYPHENOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
4NA7GV0COJ
Created by admin on Sat Dec 16 14:25:24 UTC 2023 , Edited by admin on Sat Dec 16 14:25:24 UTC 2023
PRIMARY
PUBCHEM
5320532
Created by admin on Sat Dec 16 14:25:24 UTC 2023 , Edited by admin on Sat Dec 16 14:25:24 UTC 2023
PRIMARY
CAS
89444-89-3
Created by admin on Sat Dec 16 14:25:24 UTC 2023 , Edited by admin on Sat Dec 16 14:25:24 UTC 2023
PRIMARY