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

Systemtic Name: 2-ethyl-2-[[4-nitroso-2-(phenylmethyl)phenyl]sulfanylmethyl]hexanal Openeye Name: 2-[(2-benzyl-4-nitroso-phenyl)sulfanylmethyl]-2-ethyl-hexanal CAS Name: 2-ethyl-2-[[[4-nitroso-2-(phenylmethyl)phenyl]thio]methyl]hexanal IUPAC Name: 2-[(2-benzyl-4-nitrosophenyl)sulfanylmethyl]-2-ethylhexanal Traditional Name: 2-[[(2-benzyl-4-nitroso-phenyl)thio]methyl]-2-ethyl-hexanal Formula: C22H27NO2S MolecularWeight: 369.52028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=C(C=C(C=C1)N=O)CC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCC(CC)(CSC1=C(C=C(C=C1)N=O)CC2=CC=CC=C2)C=O

InChI

InChI=1S/C22H27NO2S/c1-3-5-13-22(4-2,16-24)17-26-21-12-11-20(23-25)15-19(21)14-18-9-7-6-8-10-18/h6-12,15-16H,3-5,13-14,17H2,1-2H3