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

Details

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

SHOW SMILES / InChI

Structure of 4-(1-METHYLHEPTYL)-2,6-DINITROPHENYL BUTENOATE

Structure Search

SMILES

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

InChI

InChIKey=YHVJMJFNSRLYIC-WEVVVXLNSA-N

InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(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 23:05:13 GMT 2025` Edited by `admin` on `Mon Mar 31 23:05:13 GMT 2025`
Record UNII	6NE9WO391D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Systematic Name

English

2-BUTENOIC ACID, 4-(1-METHYLHEPTYL)-2,6-DINITROPHENYL ESTER

Preferred Name

English

4-(1-METHYLHEPTYL)-2,6-DINITROPHENYL (E)-2-BUTENOATE

Systematic Name

English

4-(1-METHYLHEPTYL)-2,6-DINITROPHENYL CROTONATE

Common Name

English

PHENOL, 4-(1-METHYLHEPTYL)-2,6-DINITRO-, CROTONATE (ESTER)

Systematic Name

English

Code System Code Type Description

PUBCHEM

5290882

Created by admin on Mon Mar 31 23:05:13 GMT 2025 , Edited by admin on Mon Mar 31 23:05:13 GMT 2025

PRIMARY

CAS

19019-33-1

Created by admin on Mon Mar 31 23:05:13 GMT 2025 , Edited by admin on Mon Mar 31 23:05:13 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID30274055

Created by admin on Mon Mar 31 23:05:13 GMT 2025 , Edited by admin on Mon Mar 31 23:05:13 GMT 2025

PRIMARY

FDA UNII

6NE9WO391D

Created by admin on Mon Mar 31 23:05:13 GMT 2025 , Edited by admin on Mon Mar 31 23:05:13 GMT 2025

PRIMARY