5-butyl-2-[2-[4-(4-ethoxy-2-fluoranyl-phenyl)phenyl]ethyl]-1,3-dithiane

Systemtic Name: 5-butyl-2-[2-[4-(4-ethoxy-2-fluoranyl-phenyl)phenyl]ethyl]-1,3-dithiane Openeye Name: 5-butyl-2-[2-[4-(4-ethoxy-2-fluoro-phenyl)phenyl]ethyl]-1,3-dithiane CAS Name: 5-butyl-2-[2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethyl]-1,3-dithiane Traditional Name: 5-butyl-2-[2-[4-(4-ethoxy-2-fluoro-phenyl)phenyl]ethyl]-1,3-dithiane Formula: C24H31FOS2 MolecularWeight: 418.630743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CSC(SC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)OCC)F

Isomeric SMILES

CCCCC1CSC(SC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)OCC)F

InChI

InChI=1S/C24H31FOS2/c1-3-5-6-19-16-27-24(28-17-19)14-9-18-7-10-20(11-8-18)22-13-12-21(26-4-2)15-23(22)25/h7-8,10-13,15,19,24H,3-6,9,14,16-17H2,1-2H3