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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16O4
Molecular Weight 224.253
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FEPENTOLIC ACID, (S)-

SMILES

CCCC[C@H](O)C1=CC(=CC=C1O)C(O)=O

InChI

InChIKey=SQHQDVNANXVULC-JTQLQIEISA-N
InChI=1S/C12H16O4/c1-2-3-4-10(13)9-7-8(12(15)16)5-6-11(9)14/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H16O4
Molecular Weight 224.253
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:49:58 UTC 2023
Edited
by admin
on Sat Dec 16 11:49:58 UTC 2023
Record UNII
19L43OO7XI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEPENTOLIC ACID, (S)-
Common Name English
BENZOIC ACID, 4-HYDROXY-3-(1-HYDROXYPENTYL)-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
86316358
Created by admin on Sat Dec 16 11:49:58 UTC 2023 , Edited by admin on Sat Dec 16 11:49:58 UTC 2023
PRIMARY
FDA UNII
19L43OO7XI
Created by admin on Sat Dec 16 11:49:58 UTC 2023 , Edited by admin on Sat Dec 16 11:49:58 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER