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

Systemtic Name: 5-butyl-2-[2-[4-(2-fluoranyl-4-heptyl-phenyl)phenyl]ethyl]-1,3-dithiane Openeye Name: 5-butyl-2-[2-[4-(2-fluoro-4-heptyl-phenyl)phenyl]ethyl]-1,3-dithiane CAS Name: 5-butyl-2-[2-[4-(2-fluoro-4-heptylphenyl)phenyl]ethyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[2-[4-(2-fluoro-4-heptylphenyl)phenyl]ethyl]-1,3-dithiane Traditional Name: 5-butyl-2-[2-[4-(2-fluoro-4-heptyl-phenyl)phenyl]ethyl]-1,3-dithiane Formula: C29H41FS2 MolecularWeight: 472.764243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

InChI

InChI=1S/C29H41FS2/c1-3-5-7-8-9-11-24-14-18-27(28(30)20-24)26-16-12-23(13-17-26)15-19-29-31-21-25(22-32-29)10-6-4-2/h12-14,16-18,20,25,29H,3-11,15,19,21-22H2,1-2H3