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

Systemtic Name: 2-(3-fluoranyl-4-heptyl-phenyl)-5-propyl-1,3-dithiane Openeye Name: 2-(3-fluoro-4-heptyl-phenyl)-5-propyl-1,3-dithiane CAS Name: 2-(3-fluoro-4-heptylphenyl)-5-propyl-1,3-dithiane IUPAC Name: 2-(3-fluoro-4-heptylphenyl)-5-propyl-1,3-dithiane Traditional Name: 2-(3-fluoro-4-heptyl-phenyl)-5-propyl-1,3-dithiane Formula: C20H31FS2 MolecularWeight: 354.588543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2SCC(CS2)CCC)F

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2SCC(CS2)CCC)F

InChI

InChI=1S/C20H31FS2/c1-3-5-6-7-8-10-17-11-12-18(13-19(17)21)20-22-14-16(9-4-2)15-23-20/h11-13,16,20H,3-10,14-15H2,1-2H3