O-octyl (E)-3-[4-[2-(4-decylsulfanyl-3-fluoranyl-phenyl)ethynyl]phenyl]prop-2-enethioate

Systemtic Name: O-octyl (E)-3-[4-[2-(4-decylsulfanyl-3-fluoranyl-phenyl)ethynyl]phenyl]prop-2-enethioate Openeye Name: O-octyl (E)-3-[4-[2-(4-decylsulfanyl-3-fluoro-phenyl)ethynyl]phenyl]prop-2-enethioate CAS Name: (E)-3-[4-[2-[4-(decylthio)-3-fluorophenyl]ethynyl]phenyl]-2-propenethioic acid O-octyl ester IUPAC Name: O-octyl (E)-3-[4-[2-(4-decylsulfanyl-3-fluorophenyl)ethynyl]phenyl]prop-2-enethioate Traditional Name: (E)-3-[4-[2-[4-(decylthio)-3-fluoro-phenyl]ethynyl]phenyl]prop-2-enethioic acid O-octyl ester Formula: C35H47FOS2 MolecularWeight: 566.875483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C=CC(=S)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCSC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)/C=C/C(=S)OCCCCCCCC)F

InChI

InChI=1S/C35H47FOS2/c1-3-5-7-9-11-12-14-16-28-39-34-25-23-32(29-33(34)36)22-21-30-17-19-31(20-18-30)24-26-35(38)37-27-15-13-10-8-6-4-2/h17-20,23-26,29H,3-16,27-28H2,1-2H3/b26-24+