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

Systemtic Name: 5-butyl-2-[2-[4-(2-fluoranyl-4-heptoxy-phenyl)phenyl]ethyl]-1,3-dithiane Openeye Name: 5-butyl-2-[2-[4-(2-fluoro-4-heptoxy-phenyl)phenyl]ethyl]-1,3-dithiane CAS Name: 5-butyl-2-[2-[4-(2-fluoro-4-heptoxyphenyl)phenyl]ethyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[2-[4-(2-fluoro-4-heptoxyphenyl)phenyl]ethyl]-1,3-dithiane Traditional Name: 5-butyl-2-[2-[4-(2-fluoro-4-heptoxy-phenyl)phenyl]ethyl]-1,3-dithiane Formula: C29H41FOS2 MolecularWeight: 488.763643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

InChI

InChI=1S/C29H41FOS2/c1-3-5-7-8-9-19-31-26-16-17-27(28(30)20-26)25-14-11-23(12-15-25)13-18-29-32-21-24(22-33-29)10-6-4-2/h11-12,14-17,20,24,29H,3-10,13,18-19,21-22H2,1-2H3