2-methyl-5-(phenylsulfonylmethyl)furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-(phenylsulfonylmethyl)furan-3-carboxylic acid Openeye Name: 5-(benzenesulfonylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-(benzenesulfonylmethyl)-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(benzenesulfonylmethyl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-(besylmethyl)-2-methyl-3-furoic acid Formula: C13H12O5S MolecularWeight: 280.29638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H12O5S/c1-9-12(13(14)15)7-10(18-9)8-19(16,17)11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,14,15)