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

Systemtic Name: 2-(3-fluoranyl-4-pentyl-phenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane Openeye Name: 2-(3-fluoro-4-pentyl-phenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane CAS Name: 2-(3-fluoro-4-pentylphenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane IUPAC Name: 2-(3-fluoro-4-pentylphenyl)-5-(4-pentylcyclohexyl)-1,3-dithiane Traditional Name: 5-(4-amylcyclohexyl)-2-(4-amyl-3-fluoro-phenyl)-1,3-dithiane Formula: C26H41FS2 MolecularWeight: 436.732143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41FS2/c1-3-5-7-9-20-11-13-21(14-12-20)24-18-28-26(29-19-24)23-16-15-22(25(27)17-23)10-8-6-4-2/h15-17,20-21,24,26H,3-14,18-19H2,1-2H3