CC(=O)Oc1c(C(C)=O)cc2c(c1C)OC(C)(COc1ccc([N+](=O)[O-])cc1)CC2=O
Name: 7-acetoxy-6-acetyl-2,8-dimethyl-2-(4-nitrophenoxymethyl)-4-oxochroman
SMILES: CC(=O)Oc1c(C(C)=O)cc2c(c1C)OC(C)(COc1ccc([N+](=O)[O-])cc1)CC2=O

Molecular Processing

Molecular formula
C22H21NO8
Molecular weight
427.41
Exact mass
427.1267
XLogP
3.83
TPSA
122.04
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
109.06

Supplementary Information

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