COc1cc(S(=O)(=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
SMILES: COc1cc(S(=O)(=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

Molecular Processing

Molecular formula
C32H28O7S3
Molecular weight
620.77
Exact mass
620.0997
XLogP
6.46
TPSA
109.8
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
42
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.062
Molar refractivity
161.44

Supplementary Information

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