2-butyl-2-[[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfanylmethyl]hexanal

Systemtic Name: 2-butyl-2-[[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfanylmethyl]hexanal Openeye Name: 2-butyl-2-[[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfanylmethyl]hexanal CAS Name: 2-butyl-2-[[[2-[(4-fluorophenyl)methyl]-4-methylphenyl]thio]methyl]hexanal IUPAC Name: 2-butyl-2-[[2-[(4-fluorophenyl)methyl]-4-methylphenyl]sulfanylmethyl]hexanal Traditional Name: 2-butyl-2-[[[2-(4-fluorobenzyl)-4-methyl-phenyl]thio]methyl]hexanal Formula: C25H33FOS MolecularWeight: 400.592323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33FOS/c1-4-6-14-25(18-27,15-7-5-2)19-28-24-13-8-20(3)16-22(24)17-21-9-11-23(26)12-10-21/h8-13,16,18H,4-7,14-15,17,19H2,1-3H3