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Details

Stereochemistry ACHIRAL
Molecular Formula C18H29NO2
Molecular Weight 291.4284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,5-TRI-TERT-BUTYL-2-NITROBENZENE

SMILES

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

InChI

InChIKey=IMDZOFHRUMJNQR-UHFFFAOYSA-N
InChI=1S/C18H29NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11H,1-9H3

HIDE SMILES / InChI

Molecular Formula C18H29NO2
Molecular Weight 291.4284
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:56:01 GMT 2025
Edited
by admin
on Tue Apr 01 16:56:01 GMT 2025
Record UNII
M9J7A2WQ2L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,5-TRI(TERT-BUTYL)-2-NITROBENZENE
Preferred Name English
1,3,5-TRI-TERT-BUTYL-2-NITROBENZENE
Systematic Name English
BENZENE, 1,3,5-TRIS(1,1-DIMETHYLETHYL)-2-NITRO-
Systematic Name English
2,4,6-TRI-TERT-BUTYLNITROBENZENE
Systematic Name English
1,3,5-TRIS(1,1-DIMETHYLETHYL)-2-NITROBENZENE
Systematic Name English
2,4,6-TRI-TERT-BUTYL-1-NITROBENZENE
Systematic Name English
1,3,5-TRITERT-BUTYL-2-NITROBENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
77691
Created by admin on Tue Apr 01 16:56:01 GMT 2025 , Edited by admin on Tue Apr 01 16:56:01 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-789-5
Created by admin on Tue Apr 01 16:56:01 GMT 2025 , Edited by admin on Tue Apr 01 16:56:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID00193724
Created by admin on Tue Apr 01 16:56:01 GMT 2025 , Edited by admin on Tue Apr 01 16:56:01 GMT 2025
PRIMARY
CAS
4074-25-3
Created by admin on Tue Apr 01 16:56:01 GMT 2025 , Edited by admin on Tue Apr 01 16:56:01 GMT 2025
PRIMARY
FDA UNII
M9J7A2WQ2L
Created by admin on Tue Apr 01 16:56:01 GMT 2025 , Edited by admin on Tue Apr 01 16:56:01 GMT 2025
PRIMARY