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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22O2P.Br
Molecular Weight 429.287
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (Ethoxycarbonylmethyl)triphenylphosphonium bromide

SMILES

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

InChI

InChIKey=VJVZPTPOYCJFNI-UHFFFAOYSA-M
InChI=1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;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 C22H22O2P
Molecular Weight 349.3826
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 Sat Dec 16 13:07:57 GMT 2023
Edited
by admin
on Sat Dec 16 13:07:57 GMT 2023
Record UNII
H4A2QTG5DE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(Ethoxycarbonylmethyl)triphenylphosphonium bromide
Systematic Name English
Phosphonium, (carboxymethyl)triphenyl-, bromide, ethyl ester
Common Name English
Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, bromide
Common Name English
Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, bromide (1:1)
Systematic Name English
NSC-60450
Code English
Code System Code Type Description
CAS
1530-45-6
Created by admin on Sat Dec 16 13:07:57 GMT 2023 , Edited by admin on Sat Dec 16 13:07:57 GMT 2023
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PUBCHEM
73731
Created by admin on Sat Dec 16 13:07:57 GMT 2023 , Edited by admin on Sat Dec 16 13:07:57 GMT 2023
PRIMARY
FDA UNII
H4A2QTG5DE
Created by admin on Sat Dec 16 13:07:57 GMT 2023 , Edited by admin on Sat Dec 16 13:07:57 GMT 2023
PRIMARY
NSC
60450
Created by admin on Sat Dec 16 13:07:57 GMT 2023 , Edited by admin on Sat Dec 16 13:07:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID40934653
Created by admin on Sat Dec 16 13:07:57 GMT 2023 , Edited by admin on Sat Dec 16 13:07:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-230-1
Created by admin on Sat Dec 16 13:07:57 GMT 2023 , Edited by admin on Sat Dec 16 13:07:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE