SMILES:
COC(=O)C(CC1CCCC1OC1CCCCO1)c1ccc(S(C)(=O)=O)cc1Molecular Processing
Molecular formula
C21H30O6S
Molecular weight
410.53
Exact mass
410.1763
XLogP
3.45
TPSA
78.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
104.73
Supplementary Information
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Involved in 6 reactions→