CC(C)(C)OC(=O)C[C@H]1C[C@@H](COS(=O)(=O)c2cc(Cl)ccc2Cl)OC(C)(C)O1
SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H](COS(=O)(=O)c2cc(Cl)ccc2Cl)OC(C)(C)O1

Molecular Processing

Molecular formula
C19H26Cl2O7S
Molecular weight
469.38
Exact mass
468.0776
XLogP
4.34
TPSA
88.13
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
108.5

Supplementary Information

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