이름: ethyl 2-(6-bromo-2,3,4,5-tetramethoxybenzyl)-2-ethoxycarbonyl-6-(4-methoxycarbonylphenoxy)hexanoate
SMILES:
CCOC(=O)C(CCCCOc1ccc(C(=O)OC)cc1)(Cc1c(Br)c(OC)c(OC)c(OC)c1OC)C(=O)OCCMolecular Processing
Molecular formula
C30H39BrO11
Molecular weight
655.54
Exact mass
654.1676
XLogP
5.17
TPSA
125.05
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
17
Heavy atoms
42
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
156.88
Supplementary Information
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