3-butyl-3-[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfanyl-heptan-1-ol

Systemtic Name: 3-butyl-3-[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfanyl-heptan-1-ol Openeye Name: 3-butyl-3-[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfanyl-heptan-1-ol CAS Name: 3-butyl-3-[[2-[(4-fluorophenyl)methyl]-4-methylphenyl]thio]-1-heptanol IUPAC Name: 3-butyl-3-[2-[(4-fluorophenyl)methyl]-4-methylphenyl]sulfanylheptan-1-ol Traditional Name: 3-butyl-3-[[2-(4-fluorobenzyl)-4-methyl-phenyl]thio]heptan-1-ol Formula: C25H35FOS MolecularWeight: 402.608203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CCO)SC1=C(C=C(C=C1)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCC(CCCC)(CCO)SC1=C(C=C(C=C1)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C25H35FOS/c1-4-6-14-25(16-17-27,15-7-5-2)28-24-13-8-20(3)18-22(24)19-21-9-11-23(26)12-10-21/h8-13,18,27H,4-7,14-17,19H2,1-3H3