2-butyl-2-[[4-fluoranyl-2-[(3-nitrophenyl)methyl]phenyl]sulfonylmethyl]hexanal

Systemtic Name: 2-butyl-2-[[4-fluoranyl-2-[(3-nitrophenyl)methyl]phenyl]sulfonylmethyl]hexanal Openeye Name: 2-butyl-2-[[4-fluoro-2-[(3-nitrophenyl)methyl]phenyl]sulfonylmethyl]hexanal CAS Name: 2-butyl-2-[[4-fluoro-2-[(3-nitrophenyl)methyl]phenyl]sulfonylmethyl]hexanal IUPAC Name: 2-butyl-2-[[4-fluoro-2-[(3-nitrophenyl)methyl]phenyl]sulfonylmethyl]hexanal Traditional Name: 2-butyl-2-[[4-fluoro-2-(3-nitrobenzyl)phenyl]sulfonylmethyl]hexanal Formula: C24H30FNO5S MolecularWeight: 463.562103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CS(=O)(=O)C1=C(C=C(C=C1)F)CC2=CC(=CC=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CCCCC(CCCC)(CS(=O)(=O)C1=C(C=C(C=C1)F)CC2=CC(=CC=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C24H30FNO5S/c1-3-5-12-24(17-27,13-6-4-2)18-32(30,31)23-11-10-21(25)16-20(23)14-19-8-7-9-22(15-19)26(28)29/h7-11,15-17H,3-6,12-14,18H2,1-2H3