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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22OP.Br
Molecular Weight 413.287
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-Oxobutyl)triphenylphosphonium bromide

SMILES

[Br-].CCC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=XDINDMYCKLKUSU-UHFFFAOYSA-M
InChI=1S/C22H22OP.BrH/c1-2-19(23)18-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,2,18H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C22H22OP
Molecular Weight 333.3832
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:03:46 GMT 2025
Edited
by admin
on Wed Apr 02 16:03:46 GMT 2025
Record UNII
LA4CRX5CM2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-Oxobutyl)triphenylphosphonium bromide
Systematic Name English
Phosphonium, (2-oxobutyl)triphenyl-, bromide
Preferred Name English
Phosphonium, (2-oxobutyl)triphenyl-, bromide (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10759330
Created by admin on Wed Apr 02 16:03:46 GMT 2025 , Edited by admin on Wed Apr 02 16:03:46 GMT 2025
PRIMARY
CAS
94953-37-4
Created by admin on Wed Apr 02 16:03:46 GMT 2025 , Edited by admin on Wed Apr 02 16:03:46 GMT 2025
PRIMARY
PUBCHEM
71330660
Created by admin on Wed Apr 02 16:03:46 GMT 2025 , Edited by admin on Wed Apr 02 16:03:46 GMT 2025
PRIMARY
FDA UNII
LA4CRX5CM2
Created by admin on Wed Apr 02 16:03:46 GMT 2025 , Edited by admin on Wed Apr 02 16:03:46 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE