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Details

Stereochemistry RACEMIC
Molecular Formula C22H26O5
Molecular Weight 370.4388
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-HYDROXYSERATRODAST

SMILES

CC1=C(C)C(=O)C(C(CCCCCC(O)=O)C2=CC=C(O)C=C2)=C(C)C1=O

InChI

InChIKey=RCTPAQGTCLHAJU-UHFFFAOYSA-N
InChI=1S/C22H26O5/c1-13-14(2)22(27)20(15(3)21(13)26)18(7-5-4-6-8-19(24)25)16-9-11-17(23)12-10-16/h9-12,18,23H,4-8H2,1-3H3,(H,24,25)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4'-HYDROXYSERATRODAST
Common Name English
4-HYDROXY-.ZETA.-(2,4,5-TRIMETHYL-3,6-DIOXO-1,4-CYCLOHEXADIEN-1-YL)BENZENEHEPTANOIC ACID
Systematic Name English
BENZENEHEPTANOIC ACID, 4-HYDROXY-.ZETA.-(2,4,5-TRIMETHYL-3,6-DIOXO-1,4-CYCLOHEXADIEN-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
187531-67-5
Created by admin on Sat Dec 16 17:30:32 GMT 2023 , Edited by admin on Sat Dec 16 17:30:32 GMT 2023
PRIMARY
PUBCHEM
102064313
Created by admin on Sat Dec 16 17:30:32 GMT 2023 , Edited by admin on Sat Dec 16 17:30:32 GMT 2023
PRIMARY
FDA UNII
68Z66QB8TR
Created by admin on Sat Dec 16 17:30:32 GMT 2023 , Edited by admin on Sat Dec 16 17:30:32 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of SERATRODAST
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