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

Systemtic Name: 4-methoxy-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Openeye Name: 3-(isoxazol-5-ylmethylsulfonyl)-4-methoxy-benzoic acid CAS Name: 3-(5-isoxazolylmethylsulfonyl)-4-methoxybenzoic acid IUPAC Name: 4-methoxy-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Traditional Name: 3-(isoxazol-5-ylmethylsulfonyl)-4-methoxy-benzoic acid Formula: C12H11NO6S MolecularWeight: 297.28384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=NO2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=NO2

InChI

InChI=1S/C12H11NO6S/c1-18-10-3-2-8(12(14)15)6-11(10)20(16,17)7-9-4-5-13-19-9/h2-6H,7H2,1H3,(H,14,15)