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sodium (5-bromanyl-4-methyl-4-oxidanyl-pentyl)-phosphonooxy-phosphinic acid

sodium (5-bromanyl-4-methyl-4-oxidanyl-pentyl)-phosphonooxy-phosphinic acid

Systemtic Name:sodium (5-bromanyl-4-methyl-4-oxidanyl-pentyl)-phosphonooxy-phosphinic acid
Openeye Name:sodium (5-bromo-4-hydroxy-4-methyl-pentyl)-phosphonooxy-phosphinic acid
CAS Name:sodium (5-bromo-4-hydroxy-4-methylpentyl)-phosphonooxyphosphinic acid
IUPAC Name:sodium (5-bromo-4-hydroxy-4-methylpentyl)-phosphonooxyphosphinic acid
Traditional Name:sodium (5-bromo-4-hydroxy-4-methyl-pentyl)-phosphonooxy-phosphinic acid
Formula: C6H15BrNaO7P2+
MolecularWeight: 364.020392
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C6H15BrO7P2.Na/c1-6(8,5-7)3-2-4-15(9,10)14-16(11,12)13;/h8H,2-5H2,1H3,(H,9,10)(H2,11,12,13);/q;+1


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