PFAS
Global PFAS Screening Tool
No. of Substances: 18960
3-(triphenylphosphonio)propane-1-sulfoni
CAS Number: 439937-65-2
IUPAC name: 4-methylbenzenesulfonate;triphenyl(3-sulfopropyl)phosphanium
Molecular formula: C28H29O6PS2
Molecular weight: 556.63000
InChI: InChI=1S/C21H21O3PS.C7H8O3S/c22-26(23,24)18-10-17-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,11-16H,10,17-18H2;2-5H,1H3,(H,8,9,10)
InChIKey: AOKLGVCURZKCAC-UHFFFAOYSA-N
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CCCS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
EINECS: -
