U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H32O2
Molecular Weight 292.4562
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of METHYL (6E,9E,12E)-OCTATRIENOATE

SMILES

CCCCC\C=C\C\C=C\C\C=C\CCCCC(=O)OC

InChI

InChIKey=JFRWATCOFCPIBM-SPOHZTNBSA-N
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7+,11-10+,14-13+

HIDE SMILES / InChI

Molecular Formula C19H32O2
Molecular Weight 292.4562
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 09:06:03 GMT 2023
Edited
by admin
on Sat Dec 16 09:06:03 GMT 2023
Record UNII
LN4NQN66K8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL (6E,9E,12E)-OCTATRIENOATE
Systematic Name English
6,9,12-OCTADECATRIENOIC ACID, METHYL ESTER
Systematic Name English
METHYL-6,9,12-OCTADECATRIENOATE
Systematic Name English
6,9,12-OCTADECATRIENOIC ACID, METHYL ESTER, (6E,9E,12E)-
Systematic Name English
METHYL 6,9,12-OCTADECATRIENOATE
Systematic Name English
METHYL-(6E,9E,12E)-OCTADECA-6,9,12-TRIENOATE
Systematic Name English
Code System Code Type Description
CAS
132029-21-1
Created by admin on Sat Dec 16 09:06:03 GMT 2023 , Edited by admin on Sat Dec 16 09:06:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID30949574
Created by admin on Sat Dec 16 09:06:03 GMT 2023 , Edited by admin on Sat Dec 16 09:06:03 GMT 2023
PRIMARY
FDA UNII
LN4NQN66K8
Created by admin on Sat Dec 16 09:06:03 GMT 2023 , Edited by admin on Sat Dec 16 09:06:03 GMT 2023
PRIMARY
CAS
2676-41-7
Created by admin on Sat Dec 16 09:06:03 GMT 2023 , Edited by admin on Sat Dec 16 09:06:03 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
5362805
Created by admin on Sat Dec 16 09:06:03 GMT 2023 , Edited by admin on Sat Dec 16 09:06:03 GMT 2023
PRIMARY