Nombre: 4,6-di(1-adamantyl)-1,3-bis(3-benzyloxy-4-nitrophenoxy)benzene
SMILES:
O=[N+]([O-])c1ccc(Oc2cc(Oc3ccc([N+](=O)[O-])c(OCc4ccccc4)c3)c(C34CC5CC(CC(C5)C3)C4)cc2C23CC4CC(CC(C4)C2)C3)cc1OCc1ccccc1Molecular Processing
Molecular formula
C52H52N2O8
Molecular weight
832.99
Exact mass
832.3724
XLogP
13.18
TPSA
123.2
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
62
Rings
13
Aromatic rings
5
Saturated rings
8
Aliphatic rings
8
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
234.03
Supplementary Information
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