3-[2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[2-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCCC1=CC=CC=C1CCC(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCCCCC1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C16H24O5S/c1-22(19,20)21-13-7-3-2-4-8-14-9-5-6-10-15(14)11-12-16(17)18/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,17,18)