Molecule ID: 91341182

IUPAC Name: 5-ethyl-2-hexylfuran-3-sulfonic acid

Description: The molecule is an arenesulfonic acid that is furan-3-sulfonic acid carrying hexyl and ethyl substituents at positions 2 and 5 respectively. It has a role as a nematode metabolite and a protective agent. It is a member of furans and an arenesulfonic acid.

SMILES: CCCCCCc1oc(CC)cc1S(=O)(=O)O

SELFIES: [C][C][C][C][C][C][C][O][C][Branch1][Ring1][C][C][=C][C][=Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C12H20O4S/c1-3-5-6-7-8-11-12(17(13,14)15)9-10(4-2)16-11/h9H,3-8H2,1-2H3,(H,13,14,15)

Molecular Properties:
- Polar Surface Area: 75.9 Ų
- LogP: 3.4