2-butyl-2-[[4-fluoranyl-2-(hydroxymethyl)phenyl]sulfanylmethyl]hexanal

Systemtic Name: 2-butyl-2-[[4-fluoranyl-2-(hydroxymethyl)phenyl]sulfanylmethyl]hexanal Openeye Name: 2-butyl-2-[[4-fluoro-2-(hydroxymethyl)phenyl]sulfanylmethyl]hexanal CAS Name: 2-butyl-2-[[[4-fluoro-2-(hydroxymethyl)phenyl]thio]methyl]hexanal IUPAC Name: 2-butyl-2-[[4-fluoro-2-(hydroxymethyl)phenyl]sulfanylmethyl]hexanal Traditional Name: 2-butyl-2-[[(4-fluoro-2-methylol-phenyl)thio]methyl]hexanal Formula: C18H27FO2S MolecularWeight: 326.469183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CSC1=C(C=C(C=C1)F)CO)C=O

Isomeric SMILES

CCCCC(CCCC)(CSC1=C(C=C(C=C1)F)CO)C=O

InChI

InChI=1S/C18H27FO2S/c1-3-5-9-18(13-21,10-6-4-2)14-22-17-8-7-16(19)11-15(17)12-20/h7-8,11,13,20H,3-6,9-10,12,14H2,1-2H3