2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfonylmethyl]hexanal

Systemtic Name: 2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfonylmethyl]hexanal Openeye Name: 2-[[2-[(4-methoxyphenyl)methyl]-4-nitro-phenyl]sulfonylmethyl]hexanal CAS Name: 2-[[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]sulfonylmethyl]hexanal IUPAC Name: 2-[[2-[(4-methoxyphenyl)methyl]-4-nitrophenyl]sulfonylmethyl]hexanal Traditional Name: 2-[(4-nitro-2-p-anisyl-phenyl)sulfonylmethyl]hexanal Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-3-4-5-17(14-23)15-29(26,27)21-11-8-19(22(24)25)13-18(21)12-16-6-9-20(28-2)10-7-16/h6-11,13-14,17H,3-5,12,15H2,1-2H3