(1-bromanyl-2,2-dimethyl-3-oxidanyl-propyl) hypobromite; (E)-but-1-ene-1,4-diol

Systemtic Name: (1-bromanyl-2,2-dimethyl-3-oxidanyl-propyl) hypobromite; (E)-but-1-ene-1,4-diol Openeye Name: (1-bromo-3-hydroxy-2,2-dimethyl-propyl) hypobromite; (E)-but-1-ene-1,4-diol CAS Name: (E)-1-butene-1,4-diol; hypobromous acid (1-bromo-3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (1-bromo-3-hydroxy-2,2-dimethylpropyl) hypobromite; (E)-but-1-ene-1,4-diol Traditional Name: (E)-but-1-ene-1,4-diol; hypobromous acid (1-bromo-3-hydroxy-2,2-dimethyl-propyl) ester Formula: C9H18Br2O4 MolecularWeight: 350.04482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(OBr)Br.C(CO)C=CO

Isomeric SMILES

CC(C)(CO)C(OBr)Br.C(CO)/C=C/O

InChI

InChI=1S/C5H10Br2O2.C4H8O2/c1-5(2,3-8)4(6)9-7;5-3-1-2-4-6/h4,8H,3H2,1-2H3;1,3,5-6H,2,4H2/b;3-1+