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Home > Fluorides > 145612-66-4
145612-66-4 | Sulfonium, [4-(1,1-dimethylethyl)phenyl]diphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No: 145612-66-4 Catalog No: AG001D8A MDL No:
Product Description
Catalog Number:
AG001D8A
Chemical Name:
Sulfonium, [4-(1,1-dimethylethyl)phenyl]diphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
145612-66-4
Molecular Formula:
C23H23F3O3S2
Molecular Weight:
468.5521
IUPAC Name:
(4-tert-butylphenyl)-diphenylsulfanium;trifluoromethanesulfonate
InChI:
InChI=1S/C22H23S.CHF3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1
InChI Key:
RLAWXWSZTKMPQQ-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.CC(c1ccc(cc1)[S+](c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.104g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.549g/mol
Monoisotopic Mass:
468.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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