CCCCC(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1
名称: 2-(4-methoxy-benzenesulfonyl)hexanoic acid ethyl ester
SMILES: CCCCC(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1

Molecular Processing

Molecular formula
C15H22O5S
Molecular weight
314.4
Exact mass
314.1188
XLogP
2.59
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
80.13

Supplementary Information

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