[1-(dimethylamino)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-(dimethylamino)-1-phosphono-butyl]phosphonic acid Openeye Name: [1-(dimethylamino)-1-phosphono-butyl]phosphonic acid CAS Name: [1-(dimethylamino)-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-(dimethylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [1-(dimethylamino)-1-phosphono-butyl]phosphonic acid Formula: C6H17NO6P2 MolecularWeight: 261.149802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N(C)C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCC(N(C)C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H17NO6P2/c1-4-5-6(7(2)3,14(8,9)10)15(11,12)13/h4-5H2,1-3H3,(H2,8,9,10)(H2,11,12,13)