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

Systemtic Name: 5-butyl-2-[2-[4-(2-fluoranyl-4-pentyl-phenyl)phenyl]ethyl]-1,3-dithiane Openeye Name: 5-butyl-2-[2-[4-(2-fluoro-4-pentyl-phenyl)phenyl]ethyl]-1,3-dithiane CAS Name: 5-butyl-2-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethyl]-1,3-dithiane Traditional Name: 2-[2-[4-(4-amyl-2-fluoro-phenyl)phenyl]ethyl]-5-butyl-1,3-dithiane Formula: C27H37FS2 MolecularWeight: 444.711083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

InChI

InChI=1S/C27H37FS2/c1-3-5-7-9-22-12-16-25(26(28)18-22)24-14-10-21(11-15-24)13-17-27-29-19-23(20-30-27)8-6-4-2/h10-12,14-16,18,23,27H,3-9,13,17,19-20H2,1-2H3