3-bromanyl-4,4-diethoxy-1,1,1-trinitro-butane

Systemtic Name: 3-bromanyl-4,4-diethoxy-1,1,1-trinitro-butane Openeye Name: 3-bromo-4,4-diethoxy-1,1,1-trinitro-butane CAS Name: 3-bromo-4,4-diethoxy-1,1,1-trinitrobutane IUPAC Name: 3-bromo-4,4-diethoxy-1,1,1-trinitrobutane Traditional Name: 3-bromo-4,4-diethoxy-1,1,1-trinitro-butane Formula: C8H14BrN3O8 MolecularWeight: 360.11606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC(C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C8H14BrN3O8/c1-3-19-7(20-4-2)6(9)5-8(10(13)14,11(15)16)12(17)18/h6-7H,3-5H2,1-2H3