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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H22O
Molecular Weight 218.3346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-SINENSAL, (2E,6E)-

SMILES

C\C(CC\C=C(/C)C=O)=C/CCC(=C)C=C

InChI

InChIKey=NOPLRNXKHZRXHT-YFVJMOTDSA-N
InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+

HIDE SMILES / InChI

Molecular Formula C15H22O
Molecular Weight 218.3346
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:29:47 GMT 2023
Edited
by admin
on Fri Dec 15 18:29:47 GMT 2023
Record UNII
4C2WZT6IRL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-SINENSAL, (2E,6E)-
Common Name English
FEMA NO. 3141, (2E,6E)-
Code English
2,6,11-DODECATRIENAL, 2,6-DIMETHYL-10-METHYLENE-, (E,E)-
Systematic Name English
SINENSAL
Common Name English
TRANS-.BETA.-SINENSAL
Common Name English
TRANS,TRANS-2,6-DIMETHYL-10-METHYLENE-2,6,11-DODECATRIENAL
Common Name English
2,6,11-DODECATRIENAL, 2,6-DIMETHYL-10-METHYLENE-, (2E,6E)-
Systematic Name English
Code System Code Type Description
CAS
3779-62-2
Created by admin on Fri Dec 15 18:29:47 GMT 2023 , Edited by admin on Fri Dec 15 18:29:47 GMT 2023
PRIMARY
PUBCHEM
5281535
Created by admin on Fri Dec 15 18:29:47 GMT 2023 , Edited by admin on Fri Dec 15 18:29:47 GMT 2023
PRIMARY
FDA UNII
4C2WZT6IRL
Created by admin on Fri Dec 15 18:29:47 GMT 2023 , Edited by admin on Fri Dec 15 18:29:47 GMT 2023
PRIMARY