3-(butylsulfonylmethyl)furan-2-carboxylic acid

Systemtic Name: 3-(butylsulfonylmethyl)furan-2-carboxylic acid Openeye Name: 3-(butylsulfonylmethyl)furan-2-carboxylic acid CAS Name: 3-(butylsulfonylmethyl)-2-furancarboxylic acid IUPAC Name: 3-(butylsulfonylmethyl)furan-2-carboxylic acid Traditional Name: 3-(butylsulfonylmethyl)-2-furoic acid Formula: C10H14O5S MolecularWeight: 246.28016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O5S/c1-2-3-6-16(13,14)7-8-4-5-15-9(8)10(11)12/h4-5H,2-3,6-7H2,1H3,(H,11,12)