2-[2-(2-hydroxyethylsulfanyl)-3-nitro-butan-2-yl]sulfanylethanol

Systemtic Name: 2-[2-(2-hydroxyethylsulfanyl)-3-nitro-butan-2-yl]sulfanylethanol Openeye Name: 2-[1-(2-hydroxyethylsulfanyl)-1-methyl-2-nitro-propyl]sulfanylethanol CAS Name: 2-[[2-(2-hydroxyethylthio)-3-nitrobutan-2-yl]thio]ethanol IUPAC Name: 2-[2-(2-hydroxyethylsulfanyl)-3-nitrobutan-2-yl]sulfanylethanol Traditional Name: 2-[[1-(2-hydroxyethylthio)-1-methyl-2-nitro-propyl]thio]ethanol Formula: C8H17NO4S2 MolecularWeight: 255.35488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(SCCO)SCCO)[N+](=O)[O-]

Isomeric SMILES

CC(C(C)(SCCO)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C8H17NO4S2/c1-7(9(12)13)8(2,14-5-3-10)15-6-4-11/h7,10-11H,3-6H2,1-2H3