3-(oxan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3-(oxan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 3-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid CAS Name: 3-(2-oxanylmethylsulfonyl)benzoic acid IUPAC Name: 3-(oxan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 3-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCOC(C1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H16O5S/c14-13(15)10-4-3-6-12(8-10)19(16,17)9-11-5-1-2-7-18-11/h3-4,6,8,11H,1-2,5,7,9H2,(H,14,15)