(1-bromanyl-2,2-dimethyl-3-oxidanyl-propyl) hypobromite; 3-sulfanylpropanoic acid

Systemtic Name: (1-bromanyl-2,2-dimethyl-3-oxidanyl-propyl) hypobromite; 3-sulfanylpropanoic acid Openeye Name: (1-bromo-3-hydroxy-2,2-dimethyl-propyl) hypobromite; 3-sulfanylpropanoic acid CAS Name: hypobromous acid (1-bromo-3-hydroxy-2,2-dimethylpropyl) ester; 3-mercaptopropanoic acid IUPAC Name: (1-bromo-3-hydroxy-2,2-dimethylpropyl) hypobromite; 3-sulfanylpropanoic acid Traditional Name: hypobromous acid (1-bromo-3-hydroxy-2,2-dimethyl-propyl) ester; 3-mercaptopropionic acid Formula: C11H22Br2O6S2 MolecularWeight: 474.22678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H10Br2O2.2C3H6O2S/c1-5(2,3-8)4(6)9-7;2*4-3(5)1-2-6/h4,8H,3H2,1-2H3;2*6H,1-2H2,(H,4,5)