2,2-bis(bromanyl)-2-nitro-ethanol; 3-bromanyl-3-nitro-pentane-2,4-diol

Systemtic Name: 2,2-bis(bromanyl)-2-nitro-ethanol; 3-bromanyl-3-nitro-pentane-2,4-diol Openeye Name: 3-bromo-3-nitro-pentane-2,4-diol; 2,2-dibromo-2-nitro-ethanol CAS Name: 3-bromo-3-nitropentane-2,4-diol; 2,2-dibromo-2-nitroethanol IUPAC Name: 3-bromo-3-nitropentane-2,4-diol; 2,2-dibromo-2-nitroethanol Traditional Name: 3-bromo-3-nitro-pentane-2,4-diol; 2,2-dibromo-2-nitro-ethanol Formula: C7H13Br3N2O7 MolecularWeight: 476.89932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H10BrNO4.C2H3Br2NO3/c1-3(8)5(6,4(2)9)7(10)11;3-2(4,1-6)5(7)8/h3-4,8-9H,1-2H3;6H,1H2