2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoic acid

Systemtic Name: 2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoic acid Openeye Name: 2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoic acid CAS Name: 2-methyl-4-methylsulfonyl-3-(3-oxetanyloxy)benzoic acid IUPAC Name: 2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoic acid Traditional Name: 4-mesyl-2-methyl-3-(oxetan-3-yloxy)benzoic acid Formula: C12H14O6S MolecularWeight: 286.30096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC2COC2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1OC2COC2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H14O6S/c1-7-9(12(13)14)3-4-10(19(2,15)16)11(7)18-8-5-17-6-8/h3-4,8H,5-6H2,1-2H3,(H,13,14)