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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22P.Br
Molecular Weight 397.288
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Buten-1-yltriphenylphosphonium bromide

SMILES

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

InChI

InChIKey=RDJXHDKPXUOJTK-UHFFFAOYSA-M
InChI=1S/C22H22P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h2,4-18H,1,3,19H2;1H/q+1;/p-1

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 C22H22P
Molecular Weight 317.3838
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 17:16:55 GMT 2025
Edited
by admin
on Wed Apr 02 17:16:55 GMT 2025
Record UNII
4L2QJK365Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Buten-1-yltriphenylphosphonium bromide
Systematic Name English
But-3-enyltriphenylphosphonium bromide
Preferred Name English
Phosphonium, 3-butenyltriphenyl-, bromide
Systematic Name English
Phosphonium, 3-buten-1-yltriphenyl-, bromide (1:1)
Systematic Name English
Code System Code Type Description
CAS
16958-42-2
Created by admin on Wed Apr 02 17:16:55 GMT 2025 , Edited by admin on Wed Apr 02 17:16:55 GMT 2025
PRIMARY
NSC
248535
Created by admin on Wed Apr 02 17:16:55 GMT 2025 , Edited by admin on Wed Apr 02 17:16:55 GMT 2025
PRIMARY
FDA UNII
4L2QJK365Y
Created by admin on Wed Apr 02 17:16:55 GMT 2025 , Edited by admin on Wed Apr 02 17:16:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID90168729
Created by admin on Wed Apr 02 17:16:55 GMT 2025 , Edited by admin on Wed Apr 02 17:16:55 GMT 2025
PRIMARY
PUBCHEM
10971324
Created by admin on Wed Apr 02 17:16:55 GMT 2025 , Edited by admin on Wed Apr 02 17:16:55 GMT 2025
PRIMARY
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