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116808-69-6 | Sulfonium, 1-naphthalenyldiphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No: 116808-69-6 Catalog No: AG000D8N MDL No:
Product Description
Catalog Number:
AG000D8N
Chemical Name:
Sulfonium, 1-naphthalenyldiphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
116808-69-6
Molecular Formula:
C23H17F3O3S2
Molecular Weight:
462.5045
IUPAC Name:
naphthalen-1-yl(diphenyl)sulfanium;trifluoromethanesulfonate
InChI:
InChI=1S/C22H17S.CHF3O3S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;2-1(3,4)8(5,6)7/h1-17H;(H,5,6,7)/q+1;/p-1
InChI Key:
OOYZLFZSZZFLJW-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)[S+](c1cccc2c1cccc2)c1ccccc1.FC(S(=O)(=O)[O-])(F)F
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.057g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.501g/mol
Monoisotopic Mass:
462.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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