Name: 3-trifluoromethylbenzenesulfonic acid 3-benzyloxy-5-methylphenyl ester
SMILES:
Cc1cc(OCc2ccccc2)cc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1Molecular Processing
Molecular formula
C21H17F3O4S
Molecular weight
422.42
Exact mass
422.08
XLogP
5.36
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
101.21
Supplementary Information
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