Dimesitylammonium Pentafluorobenzenesulfonate

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Catalog Number
ACM850629651
Product Name
Dimesitylammonium Pentafluorobenzenesulfonate
Structure
Structure
CAS
850629-65-1
Category
Heterocyclic Organic Compound
Synonyms
DimesitylammoniumPentafluorobenzenesulfonate; AKOS015853263; RTR-026603; Benzenesulfonic acid, pentafluoro-, compd. with2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)benzenamine (1:1); SCHEMBL3678935; ACMC-209q3m; CTK5F4018; Dimesitylammonium 2,3,4,5,6-pentafluorobenzenesulfonate; KS-000015VN; 850629-65-1;
IUPAC Name
bis(2,4,6-trimethylphenyl)azanium;2,3,4,5,6-pentafluorobenzenesulfonate;
Molecular Weight
501.512g/mol
Molecular Formula
C24H24F5NO3S;
Canonical SMILES
CC1=CC(=C(C(=C1)C)[NH2+]C2=C(C=C(C=C2C)C)C)C.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F;
InChI
InChI=1S/C18H23N.C6HF5O3S/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h7-10,19H,1-6H3;(H,12,13,14);
InChI Key
MKKHTKBUMNIBLN-UHFFFAOYSA-N;
Storage
Refrigerator
Complexity
534
Covalently-Bonded Unit Count
2
Exact Mass
501.14g/mol
H-Bond Acceptor
8
H-Bond Donor
1
Heavy Atom Count
34
Monoisotopic Mass
501.14g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
82.2A^2
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