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Details

Stereochemistry ACHIRAL
Molecular Formula C23H17NO7
Molecular Weight 419.3836
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (4-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenoxy)acetate

SMILES

COC(=O)COC1=CC=C(OC2=C(N)C3=C(C(=O)C4=C(C=CC=C4)C3=O)C(O)=C2)C=C1

InChI

InChIKey=ZESKQYXABHALKR-UHFFFAOYSA-N
InChI=1S/C23H17NO7/c1-29-18(26)11-30-12-6-8-13(9-7-12)31-17-10-16(25)19-20(21(17)24)23(28)15-5-3-2-4-14(15)22(19)27/h2-10,25H,11,24H2,1H3

HIDE SMILES / InChI

Molecular Formula C23H17NO7
Molecular Weight 419.3836
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 19:17:38 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:38 GMT 2025
Record UNII
ZR2KSF236U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (4-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenoxy)acetate
Systematic Name English
Acetic acid, 2-[4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenoxy]-, methyl ester
Preferred Name English
Methyl 2-[4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenoxy]acetate
Systematic Name English
Code System Code Type Description
PUBCHEM
104132
Created by admin on Tue Apr 01 19:17:38 GMT 2025 , Edited by admin on Tue Apr 01 19:17:38 GMT 2025
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FDA UNII
ZR2KSF236U
Created by admin on Tue Apr 01 19:17:38 GMT 2025 , Edited by admin on Tue Apr 01 19:17:38 GMT 2025
PRIMARY
CAS
52236-82-5
Created by admin on Tue Apr 01 19:17:38 GMT 2025 , Edited by admin on Tue Apr 01 19:17:38 GMT 2025
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EPA CompTox
DTXSID60200281
Created by admin on Tue Apr 01 19:17:38 GMT 2025 , Edited by admin on Tue Apr 01 19:17:38 GMT 2025
PRIMARY
ECHA (EC/EINECS)
257-770-8
Created by admin on Tue Apr 01 19:17:38 GMT 2025 , Edited by admin on Tue Apr 01 19:17:38 GMT 2025
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