CCCCCC(CCCN(CCCCCCC(=O)OCC)S(=O)(=O)CC)OC(C)=O
Name: ethyl 7-[N-(4-acetoxynonyl)ethanesulfonamido]heptanoate
SMILES: CCCCCC(CCCN(CCCCCCC(=O)OCC)S(=O)(=O)CC)OC(C)=O

Molecular Processing

Molecular formula
C22H43NO6S
Molecular weight
449.65
Exact mass
449.2811
XLogP
4.44
TPSA
89.98
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
19
Heavy atoms
30
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
119.68

Supplementary Information

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