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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O4
Molecular Weight 236.2637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRENOCHAETIC ACID C

SMILES

CCCC(=O)C1=C(C)C=C(C=C1OC)C(O)=O

InChI

InChIKey=ZKCUSCDHGAMOSP-UHFFFAOYSA-N
InChI=1S/C13H16O4/c1-4-5-10(14)12-8(2)6-9(13(15)16)7-11(12)17-3/h6-7H,4-5H2,1-3H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H16O4
Molecular Weight 236.2637
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:41:22 GMT 2025
Edited
by admin
on Mon Mar 31 22:41:22 GMT 2025
Record UNII
T37N9ZFY0B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 3-METHOXY-5-METHYL-4-(1-OXOBUTYL)-
Preferred Name English
PYRENOCHAETIC ACID C
Common Name English
Code System Code Type Description
FDA UNII
T37N9ZFY0B
Created by admin on Mon Mar 31 22:41:22 GMT 2025 , Edited by admin on Mon Mar 31 22:41:22 GMT 2025
PRIMARY
CAS
79214-47-4
Created by admin on Mon Mar 31 22:41:22 GMT 2025 , Edited by admin on Mon Mar 31 22:41:22 GMT 2025
PRIMARY
PUBCHEM
122380352
Created by admin on Mon Mar 31 22:41:22 GMT 2025 , Edited by admin on Mon Mar 31 22:41:22 GMT 2025
PRIMARY