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136803-27-5 | Sulfonium, triphenyl-, carbonate (1:1)
CAS No: 136803-27-5 Catalog No: AG0012EC MDL No:
Product Description
Catalog Number:
AG0012EC
Chemical Name:
Sulfonium, triphenyl-, carbonate (1:1)
CAS Number:
136803-27-5
Molecular Formula:
C19H16O3S
Molecular Weight:
324.3935
IUPAC Name:
hydrogen carbonate;triphenylsulfanium
InChI:
InChI=1S/C18H15S.CH2O3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3)4/h1-15H;(H2,2,3,4)/q+1;/p-1
InChI Key:
HQTAWELDMLCJKR-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)[S+](c1ccccc1)c1ccccc1.[O-]C(=O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.394g/mol
Monoisotopic Mass:
324.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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