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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H9ClO5
Molecular Weight 304.682
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-CHLOROEMODIN

SMILES

CC1=CC(O)=C2C(=O)C3=C(C=C(O)C(Cl)=C3O)C(=O)C2=C1

InChI

InChIKey=AVSZOSVPTLSHOV-UHFFFAOYSA-N
InChI=1S/C15H9ClO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3

HIDE SMILES / InChI

Molecular Formula C15H9ClO5
Molecular Weight 304.682
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 10:13:41 GMT 2023
Edited
by admin
on Sat Dec 16 10:13:41 GMT 2023
Record UNII
85C8LBB1GL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-CHLOROEMODIN
Common Name English
9,10-ANTHRACENEDIONE, 2-CHLORO-1,3,8-TRIHYDROXY-6-METHYL-
Systematic Name English
2-CHLOROEMODIN
Common Name English
2-CHLORO-1,3,8-TRIHYDROXY-6-METHYLANTHRAQUINONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60331928
Created by admin on Sat Dec 16 10:13:41 GMT 2023 , Edited by admin on Sat Dec 16 10:13:41 GMT 2023
PRIMARY
PUBCHEM
442729
Created by admin on Sat Dec 16 10:13:41 GMT 2023 , Edited by admin on Sat Dec 16 10:13:41 GMT 2023
PRIMARY
CAS
18521-72-7
Created by admin on Sat Dec 16 10:13:41 GMT 2023 , Edited by admin on Sat Dec 16 10:13:41 GMT 2023
PRIMARY
FDA UNII
85C8LBB1GL
Created by admin on Sat Dec 16 10:13:41 GMT 2023 , Edited by admin on Sat Dec 16 10:13:41 GMT 2023
PRIMARY