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Details

Stereochemistry ACHIRAL
Molecular Formula C58H111NO5
Molecular Weight 902.5056
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTADECANOIC ACID, 1,1'-((2-HEPTADECYL-4(5H)-OXAZOLYLIDENE)BIS(METHYLENE)) ESTER

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)CCCCCCCCCCCCCCCCC)COC(CCCCCCCCCCCCCCCCC)=N1

InChI

InChIKey=BPUYDDKNZNJELI-UHFFFAOYSA-N
InChI=1S/C58H111NO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55-59-58(52-62-55,53-63-56(60)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-64-57(61)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C58H111NO5
Molecular Weight 902.5056
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:13:49 GMT 2023
Edited
by admin
on Sat Dec 16 15:13:49 GMT 2023
Record UNII
LGT06PGC4L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTADECANOIC ACID, 1,1'-((2-HEPTADECYL-4(5H)-OXAZOLYLIDENE)BIS(METHYLENE)) ESTER
Common Name English
NSC-17740
Code English
OCTADECANOIC ACID, (2-HEPTADECYL-4(5H)-OXAZOLYLIDENE)BIS(METHYLENE) ESTER
Systematic Name English
TS 970
Common Name English
STEARIC ACID, (2-HEPTADECYL-2-OXAZOLIN-4-YLIDENE)DIMETHYLENE ESTER
Systematic Name English
2-OXAZOLINE-4,4-DIMETHANOL, 2-HEPTADECYL-, DISTEARATE (ESTER)
Systematic Name English
2-HEPTADECYL-4,4-BIS(OCTADECANOYLOXYMETHYL)-2-OXAZOLINE
Systematic Name English
Code System Code Type Description
FDA UNII
LGT06PGC4L
Created by admin on Sat Dec 16 15:13:49 GMT 2023 , Edited by admin on Sat Dec 16 15:13:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID50935474
Created by admin on Sat Dec 16 15:13:49 GMT 2023 , Edited by admin on Sat Dec 16 15:13:49 GMT 2023
PRIMARY
PUBCHEM
95104
Created by admin on Sat Dec 16 15:13:49 GMT 2023 , Edited by admin on Sat Dec 16 15:13:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
239-725-4
Created by admin on Sat Dec 16 15:13:49 GMT 2023 , Edited by admin on Sat Dec 16 15:13:49 GMT 2023
PRIMARY
CAS
15655-33-1
Created by admin on Sat Dec 16 15:13:49 GMT 2023 , Edited by admin on Sat Dec 16 15:13:49 GMT 2023
PRIMARY
NSC
17740
Created by admin on Sat Dec 16 15:13:49 GMT 2023 , Edited by admin on Sat Dec 16 15:13:49 GMT 2023
PRIMARY