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

Systemtic Name: 2-methoxy-5-(oxolan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 2-methoxy-5-(tetrahydrofuran-2-ylmethylsulfonyl)benzoic acid CAS Name: 2-methoxy-5-(2-oxolanylmethylsulfonyl)benzoic acid IUPAC Name: 2-methoxy-5-(oxolan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 2-methoxy-5-(tetrahydrofurfurylsulfonyl)benzoic acid Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CC2CCCO2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CC2CCCO2)C(=O)O

InChI

InChI=1S/C13H16O6S/c1-18-12-5-4-10(7-11(12)13(14)15)20(16,17)8-9-3-2-6-19-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,14,15)