CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C=C(C=C3)S(=O)(=O)C
الاسم: (6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C=C(C=C3)S(=O)(=O)C

Molecular Processing

Molecular formula
C17H18O7S2
Molecular weight
398.46
Exact mass
398.0494
XLogP
1.94
TPSA
95.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26
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
0.294
Molar refractivity
93.78

Supplementary Information

InChIKey: PFVPWLLPFSBVBC-UHFFFAOYSA-N
مرادفات
SCHEMBL1019038PFVPWLLPFSBVBC-UHFFFAOYSA-N[7-(methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate
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