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

Details

Stereochemistry RACEMIC
Molecular Formula C36H68O2
Molecular Weight 532.9239
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-HEPTADECYLIDENE-4-HEXADECYLOXETAN-3-ONE

SMILES

CCCCCCCCCCCCCCCCC=C1OC(CCCCCCCCCCCCCCCC)C1=O

InChI

InChIKey=JITFPKAUEWZAOD-LAPDZXRHSA-N
InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(37)34(38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3/b35-33+

HIDE SMILES / InChI

Approval Year

Name Type Language
2-HEPTADECYLIDENE-4-HEXADECYLOXETAN-3-ONE
Systematic Name English
3-OXETANONE, 2-HEPTADECYLIDENE-4-HEXADECYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
302-452-7
Created by admin on Sat Dec 16 10:51:29 GMT 2023 , Edited by admin on Sat Dec 16 10:51:29 GMT 2023
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CAS
94109-14-5
Created by admin on Sat Dec 16 10:51:29 GMT 2023 , Edited by admin on Sat Dec 16 10:51:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID6029838
Created by admin on Sat Dec 16 10:51:29 GMT 2023 , Edited by admin on Sat Dec 16 10:51:29 GMT 2023
PRIMARY
FDA UNII
DVS3ICM1DX
Created by admin on Sat Dec 16 10:51:29 GMT 2023 , Edited by admin on Sat Dec 16 10:51:29 GMT 2023
PRIMARY
PUBCHEM
53424589
Created by admin on Sat Dec 16 10:51:29 GMT 2023 , Edited by admin on Sat Dec 16 10:51:29 GMT 2023
PRIMARY