CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C=C(C=C3Cl)S(=O)(=O)C
الاسم: [(2R)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C=C(C=C3Cl)S(=O)(=O)C

Molecular Processing

Molecular formula
C17H17ClO7S2
Molecular weight
432.9
Exact mass
432.0104
XLogP
2.6
TPSA
95.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
98.79

Supplementary Information

InChIKey: KDGCEARGZKBUBI-GFCCVEGCSA-N
مرادفات
SCHEMBL1019889KDGCEARGZKBUBI-GFCCVEGCSA-N[(2R)-5-chloro-7-(methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate
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