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Details

Stereochemistry ACHIRAL
Molecular Formula C15H16O4
Molecular Weight 260.2851
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(5-FORMYL-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRAN-6-YL)BENZOIC ACID

SMILES

CC1(C)CCC(C=O)=C(O1)C2=CC=CC=C2C(O)=O

InChI

InChIKey=PRIHHXHWVNIQPJ-UHFFFAOYSA-N
InChI=1S/C15H16O4/c1-15(2)8-7-10(9-16)13(19-15)11-5-3-4-6-12(11)14(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-(5-FORMYL-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRAN-6-YL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-(5-FORMYL-3,4-DIHYDRO-2,2-DIMETHYL-2H-PYRAN-6-YL)-
Common Name English
ARQ 501 METABOLITE M3
Common Name English
Code System Code Type Description
FDA UNII
JT2PE9HCP8
Created by admin on Sat Dec 16 16:35:45 GMT 2023 , Edited by admin on Sat Dec 16 16:35:45 GMT 2023
PRIMARY
CAS
1027802-07-8
Created by admin on Sat Dec 16 16:35:45 GMT 2023 , Edited by admin on Sat Dec 16 16:35:45 GMT 2023
PRIMARY
PUBCHEM
129858331
Created by admin on Sat Dec 16 16:35:45 GMT 2023 , Edited by admin on Sat Dec 16 16:35:45 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of LAPACHONE
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