4-bromanyl-4,4-dinitro-1-phenyl-butane-1,2-diol

Systemtic Name: 4-bromanyl-4,4-dinitro-1-phenyl-butane-1,2-diol Openeye Name: 4-bromo-4,4-dinitro-1-phenyl-butane-1,2-diol CAS Name: 4-bromo-4,4-dinitro-1-phenylbutane-1,2-diol IUPAC Name: 4-bromo-4,4-dinitro-1-phenylbutane-1,2-diol Traditional Name: 4-bromo-4,4-dinitro-1-phenyl-butane-1,2-diol Formula: C10H11BrN2O6 MolecularWeight: 335.10814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CC([N+](=O)[O-])([N+](=O)[O-])Br)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(CC([N+](=O)[O-])([N+](=O)[O-])Br)O)O

InChI

InChI=1S/C10H11BrN2O6/c11-10(12(16)17,13(18)19)6-8(14)9(15)7-4-2-1-3-5-7/h1-5,8-9,14-15H,6H2