3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Openeye Name: 3-(isoxazol-5-ylmethylsulfonyl)benzoic acid CAS Name: 3-(5-isoxazolylmethylsulfonyl)benzoic acid IUPAC Name: 3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Traditional Name: 3-(isoxazol-5-ylmethylsulfonyl)benzoic acid Formula: C11H9NO5S MolecularWeight: 267.25786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CC2=CC=NO2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CC2=CC=NO2)C(=O)O

InChI

InChI=1S/C11H9NO5S/c13-11(14)8-2-1-3-10(6-8)18(15,16)7-9-4-5-12-17-9/h1-6H,7H2,(H,13,14)