CCCCCC(OCc1ccc(OC)cc1)c1ccc(C2=C(OS(=O)(=O)C(F)(F)F)CC[C@@H]2CCCc2ccc(C(=O)OC)s2)cc1
Name: vinyl triflate
SMILES: CCCCCC(OCc1ccc(OC)cc1)c1ccc(C2=C(OS(=O)(=O)C(F)(F)F)CC[C@@H]2CCCc2ccc(C(=O)OC)s2)cc1

Molecular Processing

Molecular formula
C35H41F3O7S2
Molecular weight
694.83
Exact mass
694.2246
XLogP
9.39
TPSA
88.13
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
17
Heavy atoms
47
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.457
Molar refractivity
175.41

Supplementary Information

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