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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 2-(1-PROPYLPENTYL)-4,6-DINITROPHENYL BUTENOATE

SMILES

CCCCC(CCC)C1=CC(=CC(=C1OC(=O)\C=C\C)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=XDKCUKXYCDHHCI-RMKNXTFCSA-N
InChI=1S/C18H24N2O6/c1-4-7-10-13(8-5-2)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-6-3/h6,9,11-13H,4-5,7-8,10H2,1-3H3/b9-6+

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 Sat Dec 16 10:09:27 GMT 2023
Edited
by admin
on Sat Dec 16 10:09:27 GMT 2023
Record UNII
LA5D3Y571R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(1-PROPYLPENTYL)-4,6-DINITROPHENYL BUTENOATE
Systematic Name English
2-BUTENOIC ACID, 4,6-DINITRO-2-(1-PROPYLPENTYL)PHENYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
LA5D3Y571R
Created by admin on Sat Dec 16 10:09:27 GMT 2023 , Edited by admin on Sat Dec 16 10:09:27 GMT 2023
PRIMARY
CAS
18994-41-7
Created by admin on Sat Dec 16 10:09:27 GMT 2023 , Edited by admin on Sat Dec 16 10:09:27 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
18772432
Created by admin on Sat Dec 16 10:09:27 GMT 2023 , Edited by admin on Sat Dec 16 10:09:27 GMT 2023
PRIMARY