Name: Trans-2-(4-allyloxy-3-methoxy-5-nitrophenyl)-4-(3,4,5-trimethoxy-phenyl)-1,3-dithiolane
SMILES:
C=CCOc1c(OC)cc([C@@H]2SC[C@@H](c3cc(OC)c(OC)c(OC)c3)S2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C22H25NO7S2
Molecular weight
479.58
Exact mass
479.1072
XLogP
5.41
TPSA
89.29
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
126.97
Supplementary Information
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