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

Systemtic Name: 2-ethyl-2-[[4-nitro-2-(phenylmethyl)phenyl]sulfanylmethyl]hexanal Openeye Name: 2-[(2-benzyl-4-nitro-phenyl)sulfanylmethyl]-2-ethyl-hexanal CAS Name: 2-ethyl-2-[[[4-nitro-2-(phenylmethyl)phenyl]thio]methyl]hexanal IUPAC Name: 2-[(2-benzyl-4-nitrophenyl)sulfanylmethyl]-2-ethylhexanal Traditional Name: 2-[[(2-benzyl-4-nitro-phenyl)thio]methyl]-2-ethyl-hexanal Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCC(CC)(CSC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)C=O

InChI

InChI=1S/C22H27NO3S/c1-3-5-13-22(4-2,16-24)17-27-21-12-11-20(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