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

Systemtic Name: 2-chloranyl-3-(5-methoxy-5-methyl-4H-1,2-oxazol-3-yl)-4-methylsulfonyl-benzoate Openeye Name: 2-chloro-3-(5-methoxy-5-methyl-4H-isoxazol-3-yl)-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-(5-methoxy-5-methyl-4H-isoxazol-3-yl)-4-methylsulfonylbenzoate IUPAC Name: 2-chloro-3-(5-methoxy-5-methyl-4H-1,2-oxazol-3-yl)-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-3-(5-methoxy-5-methyl-2-isoxazolin-3-yl)benzoate Formula: C13H13ClNO6S- MolecularWeight: 346.76342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)[O-])S(=O)(=O)C)OC

Isomeric SMILES

CC1(CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)[O-])S(=O)(=O)C)OC

InChI

InChI=1S/C13H14ClNO6S/c1-13(20-2)6-8(15-21-13)10-9(22(3,18)19)5-4-7(11(10)14)12(16)17/h4-5H,6H2,1-3H3,(H,16,17)/p-1