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Details

Stereochemistry ACHIRAL
Molecular Formula C22H42O2
Molecular Weight 338.5677
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BRASSIDIC ACID

SMILES

CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O

InChI

InChIKey=DPUOLQHDNGRHBS-MDZDMXLPSA-N
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+

HIDE SMILES / InChI

Molecular Formula C22H42O2
Molecular Weight 338.5677
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 03:22:13 UTC 2023
Edited
by admin
on Sat Dec 16 03:22:13 UTC 2023
Record UNII
D23G5N92QR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRASSIDIC ACID
MI  
Systematic Name English
(13E)-13-DOCOSENOIC ACID
Systematic Name English
13-DOCOSENOIC ACID, (13E)-
Common Name English
NSC-59686
Code English
(E)-13-DOCOSENOIC ACID
Systematic Name English
TRANS-13-DOCOSENOIC ACID
Systematic Name English
BRASSIDIC ACID [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C68353
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
NCI_THESAURUS C68440
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
Code System Code Type Description
FDA UNII
D23G5N92QR
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID601015913
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
PRIMARY
PUBCHEM
5282772
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
PRIMARY
CAS
506-33-2
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
PRIMARY
MERCK INDEX
m2639
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
PRIMARY Merck Index
NSC
59686
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
PRIMARY
NCI_THESAURUS
C68326
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
PRIMARY NCIT
ECHA (EC/EINECS)
208-035-5
Created by admin on Sat Dec 16 03:22:13 UTC 2023 , Edited by admin on Sat Dec 16 03:22:13 UTC 2023
PRIMARY