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Details

Stereochemistry RACEMIC
Molecular Formula C27H24O6
Molecular Weight 444.4759
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOVALIN

SMILES

CC(C)CC(=O)OC1=CC=C(C=C1)C2(OC(=O)C3=C2C=CC=C3)C4=CC=C(OC(C)=O)C=C4

InChI

InChIKey=GUZHGXLJWYBCQH-UHFFFAOYSA-N
InChI=1S/C27H24O6/c1-17(2)16-25(29)32-22-14-10-20(11-15-22)27(19-8-12-21(13-9-19)31-18(3)28)24-7-5-4-6-23(24)26(30)33-27/h4-15,17H,16H2,1-3H3

HIDE SMILES / InChI
Name Type Language
PHENOVALIN
WHO-DD  
Common Name English
PHENOVALIN [JAN]
Common Name English
Phenovalin [WHO-DD]
Common Name English
BUTANOIC ACID, 3-METHYL-, 4-(1-(4-(ACETYLOXY)PHENYL)-1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANYL)PHENYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
5MDK33N9I8
Created by admin on Sat Dec 16 08:05:32 GMT 2023 , Edited by admin on Sat Dec 16 08:05:32 GMT 2023
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PUBCHEM
24998786
Created by admin on Sat Dec 16 08:05:32 GMT 2023 , Edited by admin on Sat Dec 16 08:05:32 GMT 2023
PRIMARY
CAS
37721-39-4
Created by admin on Sat Dec 16 08:05:32 GMT 2023 , Edited by admin on Sat Dec 16 08:05:32 GMT 2023
PRIMARY
SMS_ID
100000175077
Created by admin on Sat Dec 16 08:05:32 GMT 2023 , Edited by admin on Sat Dec 16 08:05:32 GMT 2023
PRIMARY