CC(=O)OCC1OC(c2ccc(C)c(Cc3ccc(Cl)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OCC1OC(c2ccc(C)c(Cc3ccc(Cl)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C26H29ClO9S
Molecular weight
553.03
Exact mass
552.1221
XLogP
4.1
TPSA
114.43
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
134.22

Supplementary Information

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