3-(propylsulfonylmethyl)furan-2-carboxylic acid

Systemtic Name: 3-(propylsulfonylmethyl)furan-2-carboxylic acid Openeye Name: 3-(propylsulfonylmethyl)furan-2-carboxylic acid CAS Name: 3-(propylsulfonylmethyl)-2-furancarboxylic acid IUPAC Name: 3-(propylsulfonylmethyl)furan-2-carboxylic acid Traditional Name: 3-(propylsulfonylmethyl)-2-furoic acid Formula: C9H12O5S MolecularWeight: 232.25358

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CC1=C(OC=C1)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)CC1=C(OC=C1)C(=O)O

InChI

InChI=1S/C9H12O5S/c1-2-5-15(12,13)6-7-3-4-14-8(7)9(10)11/h3-4H,2,5-6H2,1H3,(H,10,11)