Name: ( 1 )
SMILES:
C=C(C)C(=O)OCC(C)OC(=O)c1cccc(S(=O)(=O)O)c1C(=O)OMolecular Processing
Molecular formula
C15H16O9S
Molecular weight
372.35
Exact mass
372.0515
XLogP
1.3
TPSA
144.27
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
83.87
Supplementary Information
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