2-[4-(1,2-oxazol-5-ylmethylsulfonyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(1,2-oxazol-5-ylmethylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-[4-(isoxazol-5-ylmethylsulfonyl)phenyl]acetic acid CAS Name: 2-[4-(5-isoxazolylmethylsulfonyl)phenyl]acetic acid IUPAC Name: 2-[4-(1,2-oxazol-5-ylmethylsulfonyl)phenyl]acetic acid Traditional Name: 2-[4-(isoxazol-5-ylmethylsulfonyl)phenyl]acetic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CC2=CC=NO2

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CC2=CC=NO2

InChI

InChI=1S/C12H11NO5S/c14-12(15)7-9-1-3-11(4-2-9)19(16,17)8-10-5-6-13-18-10/h1-6H,7-8H2,(H,14,15)