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

Systemtic Name: 2-[2-[4-(4-butoxy-2-fluoranyl-phenyl)phenyl]ethyl]-5-butyl-1,3-dithiane Openeye Name: 2-[2-[4-(4-butoxy-2-fluoro-phenyl)phenyl]ethyl]-5-butyl-1,3-dithiane CAS Name: 2-[2-[4-(4-butoxy-2-fluorophenyl)phenyl]ethyl]-5-butyl-1,3-dithiane IUPAC Name: 2-[2-[4-(4-butoxy-2-fluorophenyl)phenyl]ethyl]-5-butyl-1,3-dithiane Traditional Name: 2-[2-[4-(4-butoxy-2-fluoro-phenyl)phenyl]ethyl]-5-butyl-1,3-dithiane Formula: C26H35FOS2 MolecularWeight: 446.683903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CSC(SC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)OCCCC)F

Isomeric SMILES

CCCCC1CSC(SC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)OCCCC)F

InChI

InChI=1S/C26H35FOS2/c1-3-5-7-21-18-29-26(30-19-21)15-10-20-8-11-22(12-9-20)24-14-13-23(17-25(24)27)28-16-6-4-2/h8-9,11-14,17,21,26H,3-7,10,15-16,18-19H2,1-2H3