ethyl 2-fluoranyl-3-oxidanyl-2-phenylsulfanyl-octanoate

Systemtic Name: ethyl 2-fluoranyl-3-oxidanyl-2-phenylsulfanyl-octanoate Openeye Name: ethyl 2-fluoro-3-hydroxy-2-phenylsulfanyl-octanoate CAS Name: 2-fluoro-3-hydroxy-2-(phenylthio)octanoic acid ethyl ester IUPAC Name: ethyl 2-fluoro-3-hydroxy-2-phenylsulfanyloctanoate Traditional Name: 2-fluoro-3-hydroxy-2-(phenylthio)caprylic acid ethyl ester Formula: C16H23FO3S MolecularWeight: 314.415423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)OCC)(F)SC1=CC=CC=C1)O

Isomeric SMILES

CCCCCC(C(C(=O)OCC)(F)SC1=CC=CC=C1)O

InChI

InChI=1S/C16H23FO3S/c1-3-5-7-12-14(18)16(17,15(19)20-4-2)21-13-10-8-6-9-11-13/h6,8-11,14,18H,3-5,7,12H2,1-2H3