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Details

Stereochemistry ACHIRAL
Molecular Formula C16H26O2
Molecular Weight 250.3764
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of ROUGHANIC ACID, (7E,10E,13E)-

SMILES

CC\C=C\C\C=C\C\C=C\CCCCCC(O)=O

InChI

InChIKey=KBGYPXOSNDMZRV-IUQGRGSQSA-N
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3+,7-6+,10-9+

HIDE SMILES / InChI

Molecular Formula C16H26O2
Molecular Weight 250.3764
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:21:07 GMT 2023
Edited
by admin
on Sat Dec 16 10:21:07 GMT 2023
Record UNII
72Q57AL3T2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROUGHANIC ACID, (7E,10E,13E)-
Common Name English
ROUGHANIC ACID, ALL TRANS-
Common Name English
ROUGHANIC ACID, (ALL E)-
Common Name English
7,10,13-HEXADECATRIENOIC ACID, (7E,10E,13E)-
Systematic Name English
Code System Code Type Description
FDA UNII
72Q57AL3T2
Created by admin on Sat Dec 16 10:21:07 GMT 2023 , Edited by admin on Sat Dec 16 10:21:07 GMT 2023
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CAS
1569300-52-2
Created by admin on Sat Dec 16 10:21:07 GMT 2023 , Edited by admin on Sat Dec 16 10:21:07 GMT 2023
PRIMARY
PUBCHEM
5282813
Created by admin on Sat Dec 16 10:21:08 GMT 2023 , Edited by admin on Sat Dec 16 10:21:08 GMT 2023
PRIMARY