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Details

Stereochemistry ACHIRAL
Molecular Formula C25H21NO3P.Br
Molecular Weight 494.317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-Hydroxy-5-nitrobenzyl)triphenylphosphonium bromide

SMILES

[Br-].OC1=CC=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[N+]([O-])=O

InChI

InChIKey=ALTBCYQWMSLBRZ-UHFFFAOYSA-N
InChI=1S/C25H20NO3P.BrH/c27-25-17-16-21(26(28)29)18-20(25)19-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H

HIDE SMILES / InChI

Molecular Formula Br
Molecular Weight 79.904
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H21NO3P
Molecular Weight 414.4129
Charge 1
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 Wed Apr 02 19:11:48 GMT 2025
Edited
by admin
on Wed Apr 02 19:11:48 GMT 2025
Record UNII
3WCH5N4M6G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-Hydroxy-5-nitrobenzyl)triphenylphosphonium bromide
Systematic Name English
Phosphonium, [(2-hydroxy-5-nitrophenyl)methyl]triphenyl-, bromide (1:1)
Preferred Name English
[(2-Hydroxy-5-nitrophenyl)methyl]triphenylphosphonium bromide
Systematic Name English
Code System Code Type Description
PUBCHEM
22132950
Created by admin on Wed Apr 02 19:11:48 GMT 2025 , Edited by admin on Wed Apr 02 19:11:48 GMT 2025
PRIMARY
FDA UNII
3WCH5N4M6G
Created by admin on Wed Apr 02 19:11:48 GMT 2025 , Edited by admin on Wed Apr 02 19:11:48 GMT 2025
PRIMARY
CAS
141627-40-9
Created by admin on Wed Apr 02 19:11:48 GMT 2025 , Edited by admin on Wed Apr 02 19:11:48 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE