2-chloranyl-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-[5-(methoxymethyl)isoxazol-3-yl]-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-[5-(methoxymethyl)-3-isoxazolyl]-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-mesyl-3-[5-(methoxymethyl)isoxazol-3-yl]benzoic acid Formula: C13H12ClNO6S MolecularWeight: 345.75548

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

COCC1=CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H12ClNO6S/c1-20-6-7-5-9(15-21-7)11-10(22(2,18)19)4-3-8(12(11)14)13(16)17/h3-5H,6H2,1-2H3,(H,16,17)