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

Systemtic Name: 3-[3-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Openeye Name: 3-[3-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid CAS Name: 3-[3-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid IUPAC Name: 3-[3-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Traditional Name: 3-[3-(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(=C1)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCCCOC1=CC=CC(=C1)CCC(=O)O

InChI

InChI=1S/C15H22O6S/c1-22(18,19)21-11-4-2-3-10-20-14-7-5-6-13(12-14)8-9-15(16)17/h5-7,12H,2-4,8-11H2,1H3,(H,16,17)