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

Systemtic Name: 2-(3-fluoranyl-4-heptyl-phenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane Openeye Name: 2-(3-fluoro-4-heptyl-phenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane CAS Name: 2-(3-fluoro-4-heptylphenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane IUPAC Name: 2-(3-fluoro-4-heptylphenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane Traditional Name: 5-(4-amylcyclohexyl)-2-(3-fluoro-4-heptyl-phenyl)-1,3-dithiane Formula: C28H45FS2 MolecularWeight: 464.785303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2SCC(CS2)C3CCC(CC3)CCCCC)F

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2SCC(CS2)C3CCC(CC3)CCCCC)F

InChI

InChI=1S/C28H45FS2/c1-3-5-7-8-10-12-24-17-18-25(19-27(24)29)28-30-20-26(21-31-28)23-15-13-22(14-16-23)11-9-6-4-2/h17-19,22-23,26,28H,3-16,20-21H2,1-2H3