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

Systemtic Name: 5-butyl-2-[4-(2-fluoranyl-4-heptyl-phenyl)phenyl]-1,3-dithiane Openeye Name: 5-butyl-2-[4-(2-fluoro-4-heptyl-phenyl)phenyl]-1,3-dithiane CAS Name: 5-butyl-2-[4-(2-fluoro-4-heptylphenyl)phenyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[4-(2-fluoro-4-heptylphenyl)phenyl]-1,3-dithiane Traditional Name: 5-butyl-2-[4-(2-fluoro-4-heptyl-phenyl)phenyl]-1,3-dithiane Formula: C27H37FS2 MolecularWeight: 444.711083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3SCC(CS3)CCCC)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3SCC(CS3)CCCC)F

InChI

InChI=1S/C27H37FS2/c1-3-5-7-8-9-11-21-12-17-25(26(28)18-21)23-13-15-24(16-14-23)27-29-19-22(20-30-27)10-6-4-2/h12-18,22,27H,3-11,19-20H2,1-2H3