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Details

Stereochemistry ACHIRAL
Molecular Formula C23H16O6S
Molecular Weight 420.435
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((1,4-Dihydroxy-9,10-dioxo-2-anthryl)thio)ethyl benzoate

SMILES

OC1=CC(SCCOC(=O)C2=CC=CC=C2)=C(O)C3=C1C(=O)C4=CC=CC=C4C3=O

InChI

InChIKey=DMLGTNUPSULYID-UHFFFAOYSA-N
InChI=1S/C23H16O6S/c24-16-12-17(30-11-10-29-23(28)13-6-2-1-3-7-13)22(27)19-18(16)20(25)14-8-4-5-9-15(14)21(19)26/h1-9,12,24,27H,10-11H2

HIDE SMILES / InChI

Molecular Formula C23H16O6S
Molecular Weight 420.435
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 19:29:47 GMT 2025
Edited
by admin
on Tue Apr 01 19:29:47 GMT 2025
Record UNII
9WXY5Q4TJB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[2-(Benzoyloxy)ethyl]thio]-1,4-dihydroxy-9,10-anthracenedione
Preferred Name English
2-((1,4-Dihydroxy-9,10-dioxo-2-anthryl)thio)ethyl benzoate
Systematic Name English
9,10-Anthracenedione, 2-[[2-(benzoyloxy)ethyl]thio]-1,4-dihydroxy-
Systematic Name English
Code System Code Type Description
PUBCHEM
3016504
Created by admin on Tue Apr 01 19:29:47 GMT 2025 , Edited by admin on Tue Apr 01 19:29:47 GMT 2025
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EPA CompTox
DTXSID30198101
Created by admin on Tue Apr 01 19:29:47 GMT 2025 , Edited by admin on Tue Apr 01 19:29:47 GMT 2025
PRIMARY
CAS
49831-04-1
Created by admin on Tue Apr 01 19:29:47 GMT 2025 , Edited by admin on Tue Apr 01 19:29:47 GMT 2025
PRIMARY
ECHA (EC/EINECS)
256-497-1
Created by admin on Tue Apr 01 19:29:47 GMT 2025 , Edited by admin on Tue Apr 01 19:29:47 GMT 2025
PRIMARY
FDA UNII
9WXY5Q4TJB
Created by admin on Tue Apr 01 19:29:47 GMT 2025 , Edited by admin on Tue Apr 01 19:29:47 GMT 2025
PRIMARY