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

Systemtic Name: [4-(dimethylamino)-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(dimethylamino)-1-phosphono-butyl]phosphonic acid CAS Name: [4-(dimethylamino)-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(dimethylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(dimethylamino)-1-phosphono-butyl]phosphonic acid Formula: C6H17NO6P2 MolecularWeight: 261.149802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(C)CCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H17NO6P2/c1-7(2)5-3-4-6(14(8,9)10)15(11,12)13/h6H,3-5H2,1-2H3,(H2,8,9,10)(H2,11,12,13)