Name: methyl 8-methylsulfonyl-8-methoxycarbonyl-12-acetoxy-13-(3-trifluoromethylphenoxy)tridecanoate
SMILES:
COC(=O)CCCCCCC(CCCC(COc1cccc(C(F)(F)F)c1)OC(C)=O)(C(=O)OC)S(C)(=O)=OMolecular Processing
Molecular formula
C26H37F3O9S
Molecular weight
582.63
Exact mass
582.211
XLogP
4.66
TPSA
122.27
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
17
Heavy atoms
39
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.654
Molar refractivity
135.65
Supplementary Information
Details werden geladen…
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