(3-bromanyl-3-nitro-4-oxidanyl-pentan-2-yl) decanoate

Systemtic Name: (3-bromanyl-3-nitro-4-oxidanyl-pentan-2-yl) decanoate Openeye Name: (2-bromo-3-hydroxy-1-methyl-2-nitro-butyl) decanoate CAS Name: decanoic acid (3-bromo-4-hydroxy-3-nitropentan-2-yl) ester IUPAC Name: (3-bromo-4-hydroxy-3-nitropentan-2-yl) decanoate Traditional Name: capric acid (2-bromo-3-hydroxy-1-methyl-2-nitro-butyl) ester Formula: C15H28BrNO5 MolecularWeight: 382.29052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(C)C(C(C)O)([N+](=O)[O-])Br

Isomeric SMILES

CCCCCCCCCC(=O)OC(C)C(C(C)O)([N+](=O)[O-])Br

InChI

InChI=1S/C15H28BrNO5/c1-4-5-6-7-8-9-10-11-14(19)22-13(3)15(16,12(2)18)17(20)21/h12-13,18H,4-11H2,1-3H3