2-methyl-5-[(3-methylsulfonylphenoxy)methyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[(3-methylsulfonylphenoxy)methyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[(3-methylsulfonylphenoxy)methyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[(3-methylsulfonylphenoxy)methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[(3-methylsulfonylphenoxy)methyl]furan-3-carboxylic acid Traditional Name: 5-[(3-mesylphenoxy)methyl]-2-methyl-3-furoic acid Formula: C14H14O6S MolecularWeight: 310.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC2=CC(=CC=C2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)COC2=CC(=CC=C2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C14H14O6S/c1-9-13(14(15)16)7-11(20-9)8-19-10-4-3-5-12(6-10)21(2,17)18/h3-7H,8H2,1-2H3,(H,15,16)