2-ethyl-2-[[4-nitro-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal

Systemtic Name: 2-ethyl-2-[[4-nitro-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal Openeye Name: 2-[(2-benzyl-4-nitro-phenyl)sulfonylmethyl]-2-ethyl-hexanal CAS Name: 2-ethyl-2-[[4-nitro-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal IUPAC Name: 2-[(2-benzyl-4-nitrophenyl)sulfonylmethyl]-2-ethylhexanal Traditional Name: 2-[(2-benzyl-4-nitro-phenyl)sulfonylmethyl]-2-ethyl-hexanal Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-3-5-13-22(4-2,16-24)17-29(27,28)21-12-11-20(23(25)26)15-19(21)14-18-9-7-6-8-10-18/h6-12,15-16H,3-5,13-14,17H2,1-2H3