Nombre: 1,3,5-triiodo-2-pentadecan-2-yloxybenzene
SMILES:
CCCCCCCCCCCCCC(C)OC1=C(C=C(C=C1I)I)IMolecular Processing
Molecular formula
C21H33I3O
Molecular weight
682.21
Exact mass
681.9666
XLogP
8.97
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
14
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
135.76
Supplementary Information
InChIKey: BSSQBOXZODAHIU-UHFFFAOYSA-N
Sinónimos
SCHEMBL8814317BSSQBOXZODAHIU-UHFFFAOYSA-N2-(2,4,6-triiodophenoxy)pentadecane2-(2,4,6-triiodophenoxy)-pentadecane
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