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Details

Stereochemistry RACEMIC
Molecular Formula C16H22N2O7
Molecular Weight 354.3551
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1-METHYLHEPTYL)-4,6-DINITROPHENYL METHYLCARBONATE

SMILES

CCCCCCC(C)C1=CC(=CC(=C1OC(=O)OC)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=DWPGKPGNMSCVTF-UHFFFAOYSA-N
InChI=1S/C16H22N2O7/c1-4-5-6-7-8-11(2)13-9-12(17(20)21)10-14(18(22)23)15(13)25-16(19)24-3/h9-11H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H22N2O7
Molecular Weight 354.3551
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:57:48 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:48 GMT 2023
Record UNII
868X2MDS2E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(1-METHYLHEPTYL)-4,6-DINITROPHENYL METHYLCARBONATE
Common Name English
CARBONIC ACID, METHYL 2-(1-METHYLHEPTYL)-4,6-DINITROPHENYL ESTER
Common Name English
PHENOL, 2-(1-METHYLHEPTYL)-4,6-DINITRO-, METHYL CARBONATE (ESTER)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10863527
Created by admin on Sat Dec 16 08:57:48 GMT 2023 , Edited by admin on Sat Dec 16 08:57:48 GMT 2023
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CAS
5386-68-5
Created by admin on Sat Dec 16 08:57:48 GMT 2023 , Edited by admin on Sat Dec 16 08:57:48 GMT 2023
PRIMARY
FDA UNII
868X2MDS2E
Created by admin on Sat Dec 16 08:57:48 GMT 2023 , Edited by admin on Sat Dec 16 08:57:48 GMT 2023
PRIMARY
PUBCHEM
44154632
Created by admin on Sat Dec 16 08:57:48 GMT 2023 , Edited by admin on Sat Dec 16 08:57:48 GMT 2023
PRIMARY