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

Systemtic Name: 5-butyl-2-[2-[4-(2-fluoranyl-4-nonoxy-phenyl)phenyl]ethyl]-1,3-dithiane Openeye Name: 5-butyl-2-[2-[4-(2-fluoro-4-nonoxy-phenyl)phenyl]ethyl]-1,3-dithiane CAS Name: 5-butyl-2-[2-[4-(2-fluoro-4-nonoxyphenyl)phenyl]ethyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[2-[4-(2-fluoro-4-nonoxyphenyl)phenyl]ethyl]-1,3-dithiane Traditional Name: 5-butyl-2-[2-[4-(2-fluoro-4-nonoxy-phenyl)phenyl]ethyl]-1,3-dithiane Formula: C31H45FOS2 MolecularWeight: 516.816803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC3SCC(CS3)CCCC)F

InChI

InChI=1S/C31H45FOS2/c1-3-5-7-8-9-10-11-21-33-28-18-19-29(30(32)22-28)27-16-13-25(14-17-27)15-20-31-34-23-26(24-35-31)12-6-4-2/h13-14,16-19,22,26,31H,3-12,15,20-21,23-24H2,1-2H3