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Details

Stereochemistry ACHIRAL
Molecular Formula C30H40P.C6Cl5O
Molecular Weight 696.941
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAPHONATE

SMILES

[O-]C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl.CCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=VVFSKDYUNWHJEO-UHFFFAOYSA-M
InChI=1S/C30H40P.C6HCl5O/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;7-1-2(8)4(10)6(12)5(11)3(1)9/h11-19,21-26H,2-10,20,27H2,1H3;12H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C6Cl5O
Molecular Weight 265.329
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C30H40P
Molecular Weight 431.6124
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 Mon Mar 31 19:27:52 GMT 2025
Edited
by admin
on Mon Mar 31 19:27:52 GMT 2025
Record UNII
YW2B2J829B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DODECYL(TRIPHENYL)PHOSPHANIUM, 2,3,4,5,6-PENTACHLOROPHENOLATE
Preferred Name English
PENTAPHONATE
Common Name English
Code System Code Type Description
PUBCHEM
3084424
Created by admin on Mon Mar 31 19:27:52 GMT 2025 , Edited by admin on Mon Mar 31 19:27:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID60179105
Created by admin on Mon Mar 31 19:27:52 GMT 2025 , Edited by admin on Mon Mar 31 19:27:52 GMT 2025
PRIMARY
FDA UNII
YW2B2J829B
Created by admin on Mon Mar 31 19:27:52 GMT 2025 , Edited by admin on Mon Mar 31 19:27:52 GMT 2025
PRIMARY
CAS
24360-58-5
Created by admin on Mon Mar 31 19:27:52 GMT 2025 , Edited by admin on Mon Mar 31 19:27:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE