CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)[O-])Cl)C2=NOC3C2CCO3
이름: 3-(3a,4,5,6a-tetrahydrofuro[3,2-d][1,2]oxazol-3-yl)-2-chloro-4-methylsulfonylbenzoate
SMILES: CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)[O-])Cl)C2=NOC3C2CCO3

Molecular Processing

Molecular formula
C13H11ClNO6S-
Molecular weight
344.75
Exact mass
344.0001
XLogP
0.2
TPSA
105.09
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
-1
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
74.36

Supplementary Information

InChIKey: WIWKCWKMMWTTGA-UHFFFAOYSA-M
동의어
WIWKCWKMMWTTGA-UHFFFAOYSA-M2-chloro-4-methylsulfonyl-3-(3a,4,5,6a-tetrahydrofuro[3,2-d]-isoxazol-3-yl)benzoate2-chloro-4-methylsulfonyl-3-(3a,4,5,6a-tetrahydrofuro[3,2-d]isoxazol-3-yl)-benzoate
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