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sodium (4-bromanyl-3-methyl-3-oxidanyl-butyl) phosphono hydrogen phosphate

sodium (4-bromanyl-3-methyl-3-oxidanyl-butyl) phosphono hydrogen phosphate

Systemtic Name:sodium (4-bromanyl-3-methyl-3-oxidanyl-butyl) phosphono hydrogen phosphate
Openeye Name:sodium (4-bromo-3-hydroxy-3-methyl-butyl) phosphono hydrogen phosphate
CAS Name:sodium (4-bromo-3-hydroxy-3-methylbutyl) phosphono hydrogen phosphate
IUPAC Name:sodium (4-bromo-3-hydroxy-3-methylbutyl) phosphono hydrogen phosphate
Traditional Name:sodium (4-bromo-3-hydroxy-3-methyl-butyl) phosphono hydrogen phosphate
Formula: C5H13BrNaO8P2+
MolecularWeight: 365.993212
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O.[Na+]


Isomeric SMILES

CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O.[Na+]


InChI

InChI=1S/C5H13BrO8P2.Na/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10;/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10);/q;+1


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