Name: dimethyl 4-[5-(2-ethyl-[1,3]dioxolan-2-yl)-2-thienylmethoxy]phthalate
SMILES:
CCC1(c2ccc(COc3ccc(C(=O)OC)c(C(=O)OC)c3)s2)OCCO1Molecular Processing
Molecular formula
C20H22O7S
Molecular weight
406.46
Exact mass
406.1086
XLogP
3.51
TPSA
80.29
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
101.65
Supplementary Information
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