ethyl (E)-2,2-bis(fluoranyl)-3-phenylsulfanyl-oct-3-enoate

Systemtic Name: ethyl (E)-2,2-bis(fluoranyl)-3-phenylsulfanyl-oct-3-enoate Openeye Name: ethyl (E)-2,2-difluoro-3-phenylsulfanyl-oct-3-enoate CAS Name: (E)-2,2-difluoro-3-(phenylthio)-3-octenoic acid ethyl ester IUPAC Name: ethyl (E)-2,2-difluoro-3-phenylsulfanyloct-3-enoate Traditional Name: (E)-2,2-difluoro-3-(phenylthio)oct-3-enoic acid ethyl ester Formula: C16H20F2O2S MolecularWeight: 314.390606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC/C=C(\C(C(=O)OCC)(F)F)/SC1=CC=CC=C1

InChI

InChI=1S/C16H20F2O2S/c1-3-5-7-12-14(16(17,18)15(19)20-4-2)21-13-10-8-6-9-11-13/h6,8-12H,3-5,7H2,1-2H3/b14-12+