3-[(3-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(3-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid Openeye Name: 3-[(3-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid CAS Name: 3-[(3-methylsulfonylphenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(3-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid Traditional Name: 3-[(3-mesylphenoxy)methyl]-2-furoic acid Formula: C13H12O6S MolecularWeight: 296.29578

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)OCC2=C(OC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)OCC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C13H12O6S/c1-20(16,17)11-4-2-3-10(7-11)19-8-9-5-6-18-12(9)13(14)15/h2-7H,8H2,1H3,(H,14,15)