3-methylsulfonyl-4-pyrimidin-5-yloxy-benzoic acid

Systemtic Name: 3-methylsulfonyl-4-pyrimidin-5-yloxy-benzoic acid Openeye Name: 3-methylsulfonyl-4-pyrimidin-5-yloxy-benzoic acid CAS Name: 3-methylsulfonyl-4-(5-pyrimidinyloxy)benzoic acid IUPAC Name: 3-methylsulfonyl-4-pyrimidin-5-yloxybenzoic acid Traditional Name: 3-mesyl-4-(5-pyrimidyloxy)benzoic acid Formula: C12H10N2O5S MolecularWeight: 294.2832

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CN=CN=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CN=CN=C2

InChI

InChI=1S/C12H10N2O5S/c1-20(17,18)11-4-8(12(15)16)2-3-10(11)19-9-5-13-7-14-6-9/h2-7H,1H3,(H,15,16)