disodium [(4-bromanyl-3-methyl-3-oxidanyl-butoxy)-oxidanidyl-phosphoryl] hydrogen phosphate

Systemtic Name: disodium [(4-bromanyl-3-methyl-3-oxidanyl-butoxy)-oxidanidyl-phosphoryl] hydrogen phosphate Openeye Name: disodium [(4-bromo-3-hydroxy-3-methyl-butoxy)-oxido-phosphoryl] hydrogen phosphate CAS Name: disodium [(4-bromo-3-hydroxy-3-methylbutoxy)-oxidophosphoryl] hydrogen phosphate IUPAC Name: disodium [(4-bromo-3-hydroxy-3-methylbutoxy)-oxidophosphoryl] hydrogen phosphate Traditional Name: disodium [(4-bromo-3-hydroxy-3-methyl-butoxy)-oxido-phosphoryl] hydrogen phosphate Formula: C5H11BrNa2O8P2 MolecularWeight: 386.967102

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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);;/q;2*+1/p-2