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

Systemtic Name: 5-butyl-2-[4-(2-fluoranyl-4-pentyl-phenyl)phenyl]-1,3-dithiane Openeye Name: 5-butyl-2-[4-(2-fluoro-4-pentyl-phenyl)phenyl]-1,3-dithiane CAS Name: 5-butyl-2-[4-(2-fluoro-4-pentylphenyl)phenyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[4-(2-fluoro-4-pentylphenyl)phenyl]-1,3-dithiane Traditional Name: 2-[4-(4-amyl-2-fluoro-phenyl)phenyl]-5-butyl-1,3-dithiane Formula: C25H33FS2 MolecularWeight: 416.657923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3SCC(CS3)CCCC)F

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3SCC(CS3)CCCC)F

InChI

InChI=1S/C25H33FS2/c1-3-5-7-9-19-10-15-23(24(26)16-19)21-11-13-22(14-12-21)25-27-17-20(18-28-25)8-6-4-2/h10-16,20,25H,3-9,17-18H2,1-2H3