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

Systemtic Name: 5-(butylsulfonylmethyl)-2-methyl-furan-3-carboxylic acid Openeye Name: 5-(butylsulfonylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-(butylsulfonylmethyl)-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(butylsulfonylmethyl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-(butylsulfonylmethyl)-2-methyl-3-furoic acid Formula: C11H16O5S MolecularWeight: 260.30674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC1=CC(=C(O1)C)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)CC1=CC(=C(O1)C)C(=O)O

InChI

InChI=1S/C11H16O5S/c1-3-4-5-17(14,15)7-9-6-10(11(12)13)8(2)16-9/h6H,3-5,7H2,1-2H3,(H,12,13)