[C-]#[N+]C(CCCCC(C)(C(=O)OCC)c1ccc(C)cc1)(CCCCC(C)(C(=O)OCC)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
SMILES: [C-]#[N+]C(CCCCC(C)(C(=O)OCC)c1ccc(C)cc1)(CCCCC(C)(C(=O)OCC)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1

Molecular Processing

Molecular formula
C41H53NO6S
Molecular weight
687.94
Exact mass
687.3594
XLogP
9.16
TPSA
91.1
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
18
Heavy atoms
49
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.488
Molar refractivity
194.96

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→