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

Systemtic Name: 5-butyl-2-[2-[4-(2-fluoranyl-4-pentoxy-phenyl)phenyl]ethyl]-1,3-dithiane Openeye Name: 5-butyl-2-[2-[4-(2-fluoro-4-pentoxy-phenyl)phenyl]ethyl]-1,3-dithiane CAS Name: 5-butyl-2-[2-[4-(2-fluoro-4-pentoxyphenyl)phenyl]ethyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[2-[4-(2-fluoro-4-pentoxyphenyl)phenyl]ethyl]-1,3-dithiane Traditional Name: 2-[2-[4-(4-amoxy-2-fluoro-phenyl)phenyl]ethyl]-5-butyl-1,3-dithiane Formula: C27H37FOS2 MolecularWeight: 460.710483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

InChI

InChI=1S/C27H37FOS2/c1-3-5-7-17-29-24-14-15-25(26(28)18-24)23-12-9-21(10-13-23)11-16-27-30-19-22(20-31-27)8-6-4-2/h9-10,12-15,18,22,27H,3-8,11,16-17,19-20H2,1-2H3