[2-(2-ethylhexanoyloxymethyl)-2-nitro-butyl] 2-ethylhexanoate

Systemtic Name: [2-(2-ethylhexanoyloxymethyl)-2-nitro-butyl] 2-ethylhexanoate Openeye Name: [2-(2-ethylhexanoyloxymethyl)-2-nitro-butyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-[(2-ethyl-1-oxohexoxy)methyl]-2-nitrobutyl] ester IUPAC Name: [2-(2-ethylhexanoyloxymethyl)-2-nitrobutyl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(2-ethylhexanoyloxymethyl)-2-nitro-butyl] ester Formula: C21H39NO6 MolecularWeight: 401.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCC(CC)(COC(=O)C(CC)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)C(=O)OCC(CC)(COC(=O)C(CC)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C21H39NO6/c1-6-11-13-17(8-3)19(23)27-15-21(10-5,22(25)26)16-28-20(24)18(9-4)14-12-7-2/h17-18H,6-16H2,1-5H3