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Details

Stereochemistry ACHIRAL
Molecular Formula C14H26O2
Molecular Weight 226.355
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NERAL DIETHYL ACETAL

SMILES

CCOC(OCC)\C=C(\C)CCC=C(C)C

InChI

InChIKey=NTXGFKWLJFHGGJ-QBFSEMIESA-N
InChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11-

HIDE SMILES / InChI

Molecular Formula C14H26O2
Molecular Weight 226.355
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:02:58 GMT 2023
Edited
by admin
on Fri Dec 15 18:02:58 GMT 2023
Record UNII
Z3E3439VGA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NERAL DIETHYL ACETAL
Systematic Name English
2,6-OCTADIENE, 1,1-DIETHOXY-3,7-DIMETHYL-, (Z)-
Systematic Name English
(2Z)-1,1-DIETHOXY-3,7-DIMETHYL-OCTA-2,6-DIENE
Systematic Name English
FEMA NO. 2304, Z-
Code English
1,1-DIETHOXY-3,7-DIMETHYL-OCTA-2,6-DIENE, (2Z)-
Systematic Name English
2,6-OCTADIENE, 1,1-DIETHOXY-3,7-DIMETHYL-, (2Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5772036
Created by admin on Fri Dec 15 18:02:58 GMT 2023 , Edited by admin on Fri Dec 15 18:02:58 GMT 2023
PRIMARY
CAS
92080-89-2
Created by admin on Fri Dec 15 18:02:58 GMT 2023 , Edited by admin on Fri Dec 15 18:02:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID90238850
Created by admin on Fri Dec 15 18:02:58 GMT 2023 , Edited by admin on Fri Dec 15 18:02:58 GMT 2023
PRIMARY
FDA UNII
Z3E3439VGA
Created by admin on Fri Dec 15 18:02:58 GMT 2023 , Edited by admin on Fri Dec 15 18:02:58 GMT 2023
PRIMARY