2-[[2-(bromomethyl)-4-fluoranyl-phenyl]sulfonylmethyl]-2-butyl-hexanal

Systemtic Name: 2-[[2-(bromomethyl)-4-fluoranyl-phenyl]sulfonylmethyl]-2-butyl-hexanal Openeye Name: 2-[[2-(bromomethyl)-4-fluoro-phenyl]sulfonylmethyl]-2-butyl-hexanal CAS Name: 2-[[2-(bromomethyl)-4-fluorophenyl]sulfonylmethyl]-2-butylhexanal IUPAC Name: 2-[[2-(bromomethyl)-4-fluorophenyl]sulfonylmethyl]-2-butylhexanal Traditional Name: 2-[[2-(bromomethyl)-4-fluoro-phenyl]sulfonylmethyl]-2-butyl-hexanal Formula: C18H26BrFO3S MolecularWeight: 421.364643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CS(=O)(=O)C1=C(C=C(C=C1)F)CBr)C=O

Isomeric SMILES

CCCCC(CCCC)(CS(=O)(=O)C1=C(C=C(C=C1)F)CBr)C=O

InChI

InChI=1S/C18H26BrFO3S/c1-3-5-9-18(13-21,10-6-4-2)14-24(22,23)17-8-7-16(20)11-15(17)12-19/h7-8,11,13H,3-6,9-10,12,14H2,1-2H3