2-butyl-2-[[4-fluoranyl-2-[(3-methoxyphenyl)methyl]phenyl]sulfanylmethyl]hexan-1-ol

Systemtic Name: 2-butyl-2-[[4-fluoranyl-2-[(3-methoxyphenyl)methyl]phenyl]sulfanylmethyl]hexan-1-ol Openeye Name: 2-butyl-2-[[4-fluoro-2-[(3-methoxyphenyl)methyl]phenyl]sulfanylmethyl]hexan-1-ol CAS Name: 2-butyl-2-[[[4-fluoro-2-[(3-methoxyphenyl)methyl]phenyl]thio]methyl]-1-hexanol IUPAC Name: 2-butyl-2-[[4-fluoro-2-[(3-methoxyphenyl)methyl]phenyl]sulfanylmethyl]hexan-1-ol Traditional Name: 2-butyl-2-[[(4-fluoro-2-m-anisyl-phenyl)thio]methyl]hexan-1-ol Formula: C25H35FO2S MolecularWeight: 418.607603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CO)CSC1=C(C=C(C=C1)F)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCCCC(CCCC)(CO)CSC1=C(C=C(C=C1)F)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C25H35FO2S/c1-4-6-13-25(18-27,14-7-5-2)19-29-24-12-11-22(26)17-21(24)15-20-9-8-10-23(16-20)28-3/h8-12,16-17,27H,4-7,13-15,18-19H2,1-3H3