C1CCC(CC1)C(=O)OCCCCC(C(F)(F)S(=O)[O-])(F)F.[Na+]
Name: sodium 6-(cyclohexanecarbonyloxy)-1,1,2,2-tetrafluorohexane-1-sulfinate
SMILES: C1CCC(CC1)C(=O)OCCCCC(C(F)(F)S(=O)[O-])(F)F.[Na+]

Molecular Processing

Molecular formula
C13H19F4NaO4S
Molecular weight
370.34
Exact mass
370.0838
XLogP
0.39
TPSA
66.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
23
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.923
Molar refractivity
70.2

Supplementary Information

InChIKey: PEPZQJHZQIGPPE-UHFFFAOYSA-M
Synonyme
sodium 1,1,2,2-tetrafluoro-6-cyclohexylcarbonyloxyhexane-1-sulfinateSCHEMBL16204962
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