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

Systemtic Name: (3-bromanyl-3-nitro-4-oxidanyl-pentan-2-yl) hexanoate Openeye Name: (2-bromo-3-hydroxy-1-methyl-2-nitro-butyl) hexanoate CAS Name: hexanoic acid (3-bromo-4-hydroxy-3-nitropentan-2-yl) ester IUPAC Name: (3-bromo-4-hydroxy-3-nitropentan-2-yl) hexanoate Traditional Name: hexanoic acid (2-bromo-3-hydroxy-1-methyl-2-nitro-butyl) ester Formula: C11H20BrNO5 MolecularWeight: 326.1842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20BrNO5/c1-4-5-6-7-10(15)18-9(3)11(12,8(2)14)13(16)17/h8-9,14H,4-7H2,1-3H3