2-[2-fluoranyl-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-fluoro-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-fluoro-4-[2-(hexadecylsulfonylamino)ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-fluoro-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-(cetylsulfonylamino)ethylthio]-2-fluoro-phenoxy]acetic acid Formula: C26H44FNO5S2 MolecularWeight: 533.759663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC1=CC(=C(C=C1)OCC(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC1=CC(=C(C=C1)OCC(=O)O)F

InChI

InChI=1S/C26H44FNO5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-35(31,32)28-18-19-34-23-16-17-25(24(27)21-23)33-22-26(29)30/h16-17,21,28H,2-15,18-20,22H2,1H3,(H,29,30)