591773-92-1
10-[1,1'-BIPHENYL]-4-YL-2-(1-METHYLETHYL)-9-OXO-9H-THIOXANTHENIUM HEXAFLUOROPHOSPHATE
Name
10-[1,1'-BIPHENYL]-4-YL-2-(1-METHYLETHYL)-9-OXO-9H-THIOXANTHENIUM HEXAFLUOROPHOSPHATE
Formula
C28 H23 O S . F6 P
MolWeight
552.517
1Identification
【Name】
10-[1,1'-BIPHENYL]-4-YL-2-(1-METHYLETHYL)-9-OXO-9H-THIOXANTHENIUM HEXAFLUOROPHOSPHATE
【CAS】
【MDL】
MFCD16621108
【English Synonyms】
【Formula】
C28 H23 O S . F6 P
【MolWeight】
552.517
【Inchi】
InChI=1S/C28H23OS.F6P/c1-19(2)22-14-17-27-25(18-22)28(29)24-10-6-7-11-26(24)30(27)23-15-12-21(13-16-23)20-8-4-3-5-9-20;1-7(2,3,4,5)6/h3-19H,1-2H3;/q+1;-1
【InChIKey】
InChIKey=UHKYZKDZFIFLBK-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc2c(c1)C(=O)c3ccccc3[S+]2c4ccc(cc4)c5ccccc5.F[P-](F)(F)(F)(F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
10-[1,1'-BIPHENYL]-4-YL-2-(1-METHYLETHYL)-9-OXO-9H-THIOXANTHENIUM HEXAFLUOROPHOSPHATE.cml
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