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Details

Stereochemistry RACEMIC
Molecular Formula C18H24N2O6
Molecular Weight 364.393
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-(1-ETHYLHEXYL)-2,6-DINITROPHENYL BUTENOATE

SMILES

CCCCCC(CC)C1=CC(=C(OC(=O)\C=C\C)C(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=CRVWAMMPCVPVCE-WEVVVXLNSA-N
InChI=1S/C18H24N2O6/c1-4-7-8-10-13(6-3)14-11-15(19(22)23)18(16(12-14)20(24)25)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+

HIDE SMILES / InChI

Molecular Formula C18H24N2O6
Molecular Weight 364.393
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:05:14 GMT 2025
Edited
by admin
on Mon Mar 31 23:05:14 GMT 2025
Record UNII
72U03B21BV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTENOIC ACID, 4-(1-ETHYLHEXYL)-2,6-DINITROPHENYL ESTER, (2E)-
Preferred Name English
4-(1-ETHYLHEXYL)-2,6-DINITROPHENYL BUTENOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
18772429
Created by admin on Mon Mar 31 23:05:14 GMT 2025 , Edited by admin on Mon Mar 31 23:05:14 GMT 2025
PRIMARY
FDA UNII
72U03B21BV
Created by admin on Mon Mar 31 23:05:14 GMT 2025 , Edited by admin on Mon Mar 31 23:05:14 GMT 2025
PRIMARY
CAS
882878-03-7
Created by admin on Mon Mar 31 23:05:14 GMT 2025 , Edited by admin on Mon Mar 31 23:05:14 GMT 2025
PRIMARY
CAS
18993-78-7
Created by admin on Mon Mar 31 23:05:14 GMT 2025 , Edited by admin on Mon Mar 31 23:05:14 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY