3-[2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid

Systemtic Name: 3-[2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Openeye Name: 3-[2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid CAS Name: 3-[2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid IUPAC Name: 3-[2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Traditional Name: 3-[2-(5-methylsulfonyloxypentoxy)phenyl]propionic acid Formula: C15H22O6S MolecularWeight: 330.39658

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCOC1=CC=CC=C1CCC(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCCCOC1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C15H22O6S/c1-22(18,19)21-12-6-2-5-11-20-14-8-4-3-7-13(14)9-10-15(16)17/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,16,17)