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

Systemtic Name: (4-bromanyl-3-methyl-3-oxidanyl-butyl) phosphono hydrogen phosphate; sodium Openeye Name: (4-bromo-3-hydroxy-3-methyl-butyl) phosphono hydrogen phosphate; sodium CAS Name: (4-bromo-3-hydroxy-3-methylbutyl) phosphono hydrogen phosphate; sodium IUPAC Name: (4-bromo-3-hydroxy-3-methylbutyl) phosphono hydrogen phosphate; sodium Traditional Name: (4-bromo-3-hydroxy-3-methyl-butyl) phosphono hydrogen phosphate; sodium Formula: C5H13BrNa2O8P2 MolecularWeight: 388.982982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H13BrO8P2.2Na/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);;