3,4-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic acid CAS Name: 3,4-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2=NN=C(O2)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2=NN=C(O2)C)C

InChI

InChI=1S/C13H14N2O5S/c1-7-4-10(13(16)17)5-11(8(7)2)21(18,19)6-12-15-14-9(3)20-12/h4-5H,6H2,1-3H3,(H,16,17)