3-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]benzoic acid

Systemtic Name: 3-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]benzoic acid Openeye Name: 3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic acid CAS Name: 3-[(3-methyl-5-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 3-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]benzoic acid Traditional Name: 3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NOC(=C1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H11NO5S/c1-8-5-10(18-13-8)7-19(16,17)11-4-2-3-9(6-11)12(14)15/h2-6H,7H2,1H3,(H,14,15)