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Details

Stereochemistry ACHIRAL
Molecular Formula C21H14O4S
Molecular Weight 362.398
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Hydroxy-4-((4-methoxyphenyl)thio)anthraquinone

SMILES

COC1=CC=C(SC2=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C(O)C=C2)C=C1

InChI

InChIKey=GPKKHRIXFZCDJC-UHFFFAOYSA-N
InChI=1S/C21H14O4S/c1-25-12-6-8-13(9-7-12)26-17-11-10-16(22)18-19(17)21(24)15-5-3-2-4-14(15)20(18)23/h2-11,22H,1H3

HIDE SMILES / InChI

Molecular Formula C21H14O4S
Molecular Weight 362.398
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 17:46:06 GMT 2025
Edited
by admin
on Tue Apr 01 17:46:06 GMT 2025
Record UNII
V3X88XRG4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Hydroxy-4-[(4-methoxyphenyl)thio]-9,10-anthracenedione
Preferred Name English
1-Hydroxy-4-((4-methoxyphenyl)thio)anthraquinone
Systematic Name English
9,10-Anthracenedione, 1-hydroxy-4-[(4-methoxyphenyl)thio]-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
240-719-9
Created by admin on Tue Apr 01 17:46:06 GMT 2025 , Edited by admin on Tue Apr 01 17:46:06 GMT 2025
PRIMARY
CAS
16673-01-1
Created by admin on Tue Apr 01 17:46:06 GMT 2025 , Edited by admin on Tue Apr 01 17:46:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID70168166
Created by admin on Tue Apr 01 17:46:06 GMT 2025 , Edited by admin on Tue Apr 01 17:46:06 GMT 2025
PRIMARY
PUBCHEM
85541
Created by admin on Tue Apr 01 17:46:06 GMT 2025 , Edited by admin on Tue Apr 01 17:46:06 GMT 2025
PRIMARY
FDA UNII
V3X88XRG4J
Created by admin on Tue Apr 01 17:46:06 GMT 2025 , Edited by admin on Tue Apr 01 17:46:06 GMT 2025
PRIMARY