2-methoxy-5-(oxan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2-methoxy-5-(oxan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 2-methoxy-5-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid CAS Name: 2-methoxy-5-(2-oxanylmethylsulfonyl)benzoic acid IUPAC Name: 2-methoxy-5-(oxan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 2-methoxy-5-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid Formula: C14H18O6S MolecularWeight: 314.35412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CC2CCCCO2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CC2CCCCO2)C(=O)O

InChI

InChI=1S/C14H18O6S/c1-19-13-6-5-11(8-12(13)14(15)16)21(17,18)9-10-4-2-3-7-20-10/h5-6,8,10H,2-4,7,9H2,1H3,(H,15,16)