2-octylsulfonylbutanoic acid

Systemtic Name: 2-octylsulfonylbutanoic acid Openeye Name: 2-octylsulfonylbutanoic acid CAS Name: 2-octylsulfonylbutanoic acid IUPAC Name: 2-octylsulfonylbutanoic acid Traditional Name: 2-octylsulfonylbutyric acid Formula: C12H24O4S MolecularWeight: 264.38156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C(CC)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)C(CC)C(=O)O

InChI

InChI=1S/C12H24O4S/c1-3-5-6-7-8-9-10-17(15,16)11(4-2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)