CCCCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)c1ccc(C)cc1
SMILES: CCCCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)c1ccc(C)cc1

Molecular Processing

Molecular formula
C47H64O5S
Molecular weight
741.09
Exact mass
740.4474
XLogP
12.36
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
28
Heavy atoms
53
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.489
Molar refractivity
218.76

Supplementary Information

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