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Details

Stereochemistry ACHIRAL
Molecular Formula C22H17ClO3
Molecular Weight 364.822
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIDEHYDROATOVAQUONE

SMILES

OC1=C(C2CCC(=CC2)C3=CC=C(Cl)C=C3)C(=O)C4=CC=CC=C4C1=O

InChI

InChIKey=ZMGOMTRNVARDMZ-UHFFFAOYSA-N
InChI=1S/C22H17ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-5,9-12,15,26H,6-8H2

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
DIDEHYDROATOVAQUONE
Common Name English
(RS)-2-(4-(4-CHLOROPHENYL)CYCLOHEX-3-ENYL)-3-HYDROXY-1,4-NAPHTHOQUINONE
Systematic Name English
1,4-NAPHTHALENEDIONE, 2-(4-(4-CHLOROPHENYL)-3-CYCLOHEXEN-1-YL)-3-HYDROXY-
Systematic Name English
2-(4-(4-CHLOROPHENYL)-3-CYCLOHEXEN-1-YL)-3-HYDROXY-1,4-NAPHTHALENEDIONE
Systematic Name English
Code System Code Type Description
FDA UNII
5X6AYN4UWX
Created by admin on Sat Dec 16 18:42:53 GMT 2023 , Edited by admin on Sat Dec 16 18:42:53 GMT 2023
PRIMARY
CAS
1809464-27-4
Created by admin on Sat Dec 16 18:42:53 GMT 2023 , Edited by admin on Sat Dec 16 18:42:53 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of DIDEHYDROATOVAQUONE
NIH
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