CCOC(=O)COc1ccc(-c2c(C)cc(OCCOS(C)(=O)=O)cc2C)cc1
SMILES: CCOC(=O)COc1ccc(-c2c(C)cc(OCCOS(C)(=O)=O)cc2C)cc1

Molecular Processing

Molecular formula
C21H26O7S
Molecular weight
422.5
Exact mass
422.1399
XLogP
3.27
TPSA
88.13
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
109.77

Supplementary Information

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