2-chloranyl-3-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-benzoate

Systemtic Name: 2-chloranyl-3-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-benzoate Openeye Name: 2-chloro-3-(5-methyl-4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-(5-methyl-4,5-dihydroisoxazol-3-yl)-4-methylsulfonylbenzoate IUPAC Name: 2-chloro-3-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-3-(5-methyl-2-isoxazolin-3-yl)benzoate Formula: C12H11ClNO5S- MolecularWeight: 316.73744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C12H12ClNO5S/c1-6-5-8(14-19-6)10-9(20(2,17)18)4-3-7(11(10)13)12(15)16/h3-4,6H,5H2,1-2H3,(H,15,16)/p-1