2-(4-butyl-3-fluoranyl-phenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane

Systemtic Name: 2-(4-butyl-3-fluoranyl-phenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane Openeye Name: 2-(4-butyl-3-fluoro-phenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane CAS Name: 2-(4-butyl-3-fluorophenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane IUPAC Name: 2-(4-butyl-3-fluorophenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane Traditional Name: 5-(4-amylcyclohexyl)-2-(4-butyl-3-fluoro-phenyl)-1,3-dithiane Formula: C25H39FS2 MolecularWeight: 422.705563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CSC(SC2)C3=CC(=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCC1CCC(CC1)C2CSC(SC2)C3=CC(=C(C=C3)CCCC)F

InChI

InChI=1S/C25H39FS2/c1-3-5-7-8-19-10-12-20(13-11-19)23-17-27-25(28-18-23)22-15-14-21(9-6-4-2)24(26)16-22/h14-16,19-20,23,25H,3-13,17-18H2,1-2H3